Tag: 200-300

Active Molybdenum-Based Anode for Dehydrogenative Coupling Reactions was written by Beil, Sebastian B.;Mueller, Timo;Sillart, Sydney B.;Franzmann, Peter;Bomm, Alexander;Holtkamp, Michael;Karst, Uwe;Schade, Wolfgang;Waldvogel, Siegfried R.. And the article was included in Angewandte Chemie, International Edition in 2018.Product Details of 5460-32-2 This article mentions the following:

A new and powerful active anode system that can be operated in 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP) was discovered. In HFIP the Mo anode forms a compact, conductive, and electroactive layer of higher-valent Mo species. This system can replace powerful but stoichiometrically required Mo^V reagents for the dehydrogenative coupling of aryls. This electrolytic reaction is more sustainable and allows the conversion of a broad scope of activated arenes. In the experiment, the researchers used many compounds, for example, 4-Iodo-1,2-dimethoxybenzene (cas: 5460-32-2Product Details of 5460-32-2).

4-Iodo-1,2-dimethoxybenzene (cas: 5460-32-2) belongs to iodide derivatives. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. The C–I bond is the weakest of the carbon–halogen bonds. These bond strengths correlate with the electronegativity of the halogen, decreasing in the order F > Cl > Br > I.Product Details of 5460-32-2

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Synthesis and antitumor activity of novel pyrimidinyl pyrazole derivatives. III. Synthesis and antitumor activity of 3-phenylpiperazinyl-1-trans-propenes was written by Naito, Hiroyuki;Ohsuki, Satoru;Atsumi, Ryo;Minami, Megumi;Mochizuki, Mineko;Hirotani, Kenji;Kumazawa, Eiji;Ejima, Akio. And the article was included in Chemical & Pharmaceutical Bulletin in 2005.Formula: C6H5FIN This article mentions the following:

A series of 3-[4-phenyl-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-trans-propenes, e.g., I, and related compounds were synthesized and evaluated by their cytotoxic activity against several tumor cell lines in vitro and in vivo antitumor activity against some tumor models when administered both i.p. and orally. Compounds with the 3-chloropyridin-2-yl group and the 3-fluoro-5-substituted phenylpiperazinyl group showed significantly potent cytotoxicity by in vitro testing. Among them, the 3-cyano-5-fluorophenyl derivative I exhibited potent antitumor activity against several tumor cells including human carcinoma without causing undesirable effects in mice. In the experiment, the researchers used many compounds, for example, 3-Fluoro-5-iodoaniline (cas: 660-49-1Formula: C6H5FIN).

3-Fluoro-5-iodoaniline (cas: 660-49-1) belongs to iodide derivatives. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. Polyiodoorganic compounds are sometimes employed as X-ray contrast agents, in fluoroscopy, a type of medical imaging. This application exploits the X-ray absorbing ability of the heavy iodine nucleus.Formula: C6H5FIN

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Exploring influence of fluorine substitution on the strength and nature of halogen bond between iodobenzene and hydrogen cyanide was written by Naghani, Farhad Fereydooni;Emamian, Saeedreza;Zare, Karim. And the article was included in Journal of Physical Organic Chemistry in 2021.Safety of 1,2-Difluoro-3-iodobenzene This article mentions the following:

In the present study, the intermol. I … N halogen bond (XB) interaction between iodobenzene (IBZ) and its fluorinated derivatives (as Lewis acids LA 1 through LA 20) with HCN (as Lewis base LB) is theor. explored to shed light on the electronic nature and strength of the mentioned non-covalent interaction (NCI). The hydrogen atoms of Ph ring in IBZ were substituted by fluorine atom to probe different impacts of this atom. Such a substitution is paid attention from the number as well as the position of fluorine atoms points of view. Our analyses reveal that this XB interaction whose interaction energy spans a narrow range between 1.0 and 3.0 kcal·mol^-1 should be classified as a weak NCI. The symmetry-adapted perturbation theory (SAPT) anal. evidences that the I … N XB in the investigated binary complexes (BCs) is mainly dominated by electrostatic and dispersion interactions, and, in the meantime, induction interactions can safely be ignored. Among the many I … N XB descriptors, V_s,max, which corresponds to the most pos. value of electrostatic potential computed for the iodine atom in LAs, plays a key role. Indeed, such an easily and rapidly computable quantity (V_s,max) allows a sufficiently accurate prediction of interaction energy together with SAPT-derived components anal. to become feasible by a simple inclusion of V_s,max value within the numerous explored estimators. Although the strength of I … N XB interaction in the studied BCs is increased by an increase in the number of fluorine substituent, the position of fluorine atom cannot significantly alter the strength of the mentioned interaction. In the experiment, the researchers used many compounds, for example, 1,2-Difluoro-3-iodobenzene (cas: 64248-57-3Safety of 1,2-Difluoro-3-iodobenzene).

1,2-Difluoro-3-iodobenzene (cas: 64248-57-3) belongs to iodide derivatives. Organoiodine compounds occur widely in organic chemistry, but are relatively rare in nature. In the chemical industry, alkyl iodides serve as excellent alkylating agents and, specifically, methyl iodide is used as a methylating agent in the synthesis of various pharmaceutical drugs.Safety of 1,2-Difluoro-3-iodobenzene

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Robust Synthesis of Methyl 5-Chloro-4-fluoro-1H-indole-2-carboxylate: A Key Intermediate in the Preparation of an HIV NNRTI Candidate was written by Mayes, Benjamin A.;Chaudhuri, Narayan C.;Hencken, Christopher P.;Jeannot, Frederic;Latham, G. Mark;Mathieu, Steven;McGarry, F. Patrick;Stewart, Alistair J.;Wang, Jingyang;Moussa, Adel. And the article was included in Organic Process Research & Development in 2010.Recommanded Product: 4-Chloro-3-fluoro-2-iodoaniline This article mentions the following:

A synthetic preparation of Me 5-chloro-4-fluoro-1H-indole-2-carboxylate, a key intermediate towards phosphoindole inhibitors of HIV non-nucleoside reverse transcriptase, is described. The five-step synthesis involved Boc protection of the com. available 4-chloro-3-fluoroaniline and regioselective iodination at C-2. After facile Boc deprotection, cyclization of the resultant o-iodoaniline gave the corresponding 5-chloro-4-fluoroindole-2-carboxylic acid which was subsequently esterified to provide the target indole ester in 56% overall yield. Identification of 6-chloro-7-iodo-2(3H)-benzoxazolone as a significant side product in the iodination step led to the development of conditions which eliminated its formation in subsequent batches. Advantages of this alternative approach relative to existing methodologies include (1) potentially hazardous diazonium and azido species were not required, (2) regioisomeric products were not generated, and (3) chromatog. isolations were avoided, as all intermediates were easily crystallized As a result, the key indole ester was produced rapidly at 100-fold increased scale compared to previous reports with a 10-fold improvement in overall yield. In the experiment, the researchers used many compounds, for example, 4-Chloro-3-fluoro-2-iodoaniline (cas: 1018450-37-7Recommanded Product: 4-Chloro-3-fluoro-2-iodoaniline).

4-Chloro-3-fluoro-2-iodoaniline (cas: 1018450-37-7) belongs to iodide derivatives. Organic iodides can be alkyl, alkenyl, or alkynyl, and all of them are very reactive toward with many kinds of nucleophiles. Polyiodoorganic compounds are sometimes employed as X-ray contrast agents, in fluoroscopy, a type of medical imaging. This application exploits the X-ray absorbing ability of the heavy iodine nucleus.Recommanded Product: 4-Chloro-3-fluoro-2-iodoaniline

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Carboranes Increase the Potency of Small Molecule Inhibitors of Nicotinamide Phosphoribosyltranferase was written by Lee, Mark W.;Sevryugina, Yulia V.;Khan, Aslam;Ye, Shui Q.. And the article was included in Journal of Medicinal Chemistry in 2012.Formula: C4H8ClI This article mentions the following:

Herein we report the use of carboranes to significantly increase the potency of small mol. inhibitors of nicotinamide phosphoribosyltranferase (Nampt), an enzyme that is central to metabolism and cell survival. We compare the inclusion of carborane with other similarly sized substituents and demonstrate that, compared with their purely organic counterparts, these mols. exhibit up to 10-fold greater antiproliferative activity against cancer cells in vitro and a 100-fold increase in Nampt inhibition. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodobutane (cas: 10297-05-9Formula: C4H8ClI).

1-Chloro-4-iodobutane (cas: 10297-05-9) belongs to iodide derivatives. Typical reactions of alkyl iodides include nucleophilic substitution, elimination, reduction, and the formation of organometallics. Organoiodine lubricants can be used with titanium, stainless steels, and other metals which tend to seize up with conventional lubricants: organoiodine lubricants can be used in turbines and spacecraft, and as a cutting oil in machining.Formula: C4H8ClI

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Synthesis of α-Trifluoromethylacrylates by Ligand-Free Palladium-Catalyzed Mizoroki-Heck Reaction was written by Xiao, Pan;Schlinquer, Claire;Pannecoucke, Xavier;Bouillon, Jean-Philippe;Couve-Bonnaire, Samuel. And the article was included in Journal of Organic Chemistry in 2019.Name: 4-Iodo-1,2-dimethoxybenzene This article mentions the following:

Efficient ligand-free palladium catalyzed Mizoroki-Heck reaction allowed the formation of trisubstituted α-trifluoromethylacrylates. The reaction showed good chem. tolerance and furnished moderate to excellent yields of reaction. Silver salt additive proved to be essential for the reaction. The reaction has been then applied to the formation of 3-trifluoromethyl coumarins and analogs of therapeutic agents. In the experiment, the researchers used many compounds, for example, 4-Iodo-1,2-dimethoxybenzene (cas: 5460-32-2Name: 4-Iodo-1,2-dimethoxybenzene).

4-Iodo-1,2-dimethoxybenzene (cas: 5460-32-2) belongs to iodide derivatives. In general, organic iodides are light-sensitive and turn yellow during storage, owing to the formation of iodine. Organoiodine lubricants can be used with titanium, stainless steels, and other metals which tend to seize up with conventional lubricants: organoiodine lubricants can be used in turbines and spacecraft, and as a cutting oil in machining.Name: 4-Iodo-1,2-dimethoxybenzene

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Synthesis and Characterization of Potential Impurities of Canagliflozin was written by Pachore, Sharad S.;Akula, Swapna;Aaseef, Mohammad;Usha Jyothi, Mudumbai;Vemuri, Sasikala;Prakash, Lakki Reddy;Vidavulur, Siddaiah;Sonawane, Swapnil P.;Syam Kumar, Unniar K.;Dahanukar, Vilas H.. And the article was included in ChemistrySelect in 2017.Category: iodides-buliding-blocks This article mentions the following:

Multiple sources of anticipated process and degradation impurities of canagliflozin drug has been identified during its laboratory optimization and later in com. scale manufacturing process. The structure of these impurities were confirmed by their independent synthesis as well as by their complete spectral characterization including 2D NMR, ¹⁹F NMR, and their chromatog. retention time profile. As a part of these investigations, three new impurities such as Hydroperoxide (Impurity-D), Sulfone (impurity-F) and Dimer (impurity-C) were characterized. The present work describe our detailed investigations on the structural characterization of canagliflozin impurities, and further their independent synthesis. In the experiment, the researchers used many compounds, for example, 3-Iodo-2-methylbenzoic acid (cas: 133232-56-1Category: iodides-buliding-blocks).

3-Iodo-2-methylbenzoic acid (cas: 133232-56-1) belongs to iodide derivatives. Organic iodides are widely used in organic synthesis. Halogenation of aromatic hydrocarbons is a very important reaction via an electrophilic aromatic substitution. Iodo alkanes participate in a variety of organic synthesis reactions, which include the Simmons–Smith reaction (cyclopropanation using iodomethane), Williamson ether synthesis, Wittig reaction, Grignard reaction, alkyl coupling reactions, and Wurtz reaction.Category: iodides-buliding-blocks

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

A practical route to β^2,3-amino acids with alkyl side chains was written by Longobardo, Luigi;DellaGreca, Marina;de Paola, Ivan. And the article was included in SpringerPlus in 2015.Synthetic Route of C4H8ClI This article mentions the following:

Enantiopure N(Boc)-β³-amino nitriles, valuable synthetic intermediates in the multistep homologation of α-amino acids, were alkylated using n-BuLi as base. Alkylations afforded easily separable, almost equimol. mixtures of diastereomeric N(Boc)-protected syn and anti β^2,3-amino nitriles. Suitable manipulations of both cyano and amino groups eventually led to enantiopure N- and/or C-protected β^2,3-amino acids. For example, methanolysis using concentrate HCl gas in MeOH, provides C-protected β^2,3-amino acids in excellent yields. This methodol. is applied to the synthesis of a series N(Boc)-β^2,3-dialkyl amino nitriles derived from L-phenylalanine, D-phenylalanine, L-valine and one C-protected β^2,3-amino acid. The authors demonstrate an efficient procedure for the preparation of anti and syn β^2,3-amino acids with alkyl side chains, from α-amino acids in reasonable yields. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodobutane (cas: 10297-05-9Synthetic Route of C4H8ClI).

1-Chloro-4-iodobutane (cas: 10297-05-9) belongs to iodide derivatives. Iodide-containing intermediates are common in organic synthesis, because of the easy formation and cleavage of the C–I bond. In the chemical industry, alkyl iodides serve as excellent alkylating agents and, specifically, methyl iodide is used as a methylating agent in the synthesis of various pharmaceutical drugs.Synthetic Route of C4H8ClI

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor was written by Helal, Christopher J.;Arnold, Eric P.;Boyden, Tracey L.;Chang, Cheng;Chappie, Thomas A.;Fennell, Kimberly F.;Forman, Michael D.;Hajos, Mihaly;Harms, John F.;Hoffman, William E.;Humphrey, John M.;Kang, Zhijun;Kleiman, Robin J.;Kormos, Bethany L.;Lee, Che-Wah;Lu, Jiemin;Maklad, Noha;McDowell, Laura;Mente, Scot;O’Connor, Rebecca E.;Pandit, Jayvardhan;Piotrowski, Mary;Schmidt, Anne W.;Schmidt, Christopher J.;Ueno, Hirokazu;Verhoest, Patrick R.;Yang, Edward X.. And the article was included in Journal of Medicinal Chemistry in 2017.Synthetic Route of C4H5IN2 This article mentions the following:

Phosphodiesterase 2A (PDE2A) inhibitors have been reported to demonstrate in vivo activity in preclin. models of cognition. To more fully explore the biol. of PDE2A inhibition, we sought to identify potent PDE2A inhibitors with improved brain penetration as compared to current literature compounds Applying estimated human dose calculations while simultaneously leveraging synthetically enabled chem. and structure-based drug design has resulted in a highly potent, selective, brain penetrant compound 71 (PF-05085727) that effects in vivo biochem. changes commensurate with PDE2A inhibition along with behavioral and electrophysiol. reversal of the effects of NMDA antagonists in rodents. This data supports the ability of PDE2A inhibitors to potentiate NMDA signaling and their further development for clin. cognition indications. In the experiment, the researchers used many compounds, for example, 5-Iodo-1-methyl-1H-pyrazole (cas: 34091-51-5Synthetic Route of C4H5IN2).

5-Iodo-1-methyl-1H-pyrazole (cas: 34091-51-5) belongs to iodide derivatives. Organic iodides are organic compounds containing a carbon-iodine (C-I) bond. The carbon-iodine bond is weaker than other carbon-halogen bonds due to the poor electronegative nature of the iodine atom. The C–I bond is the weakest of the carbon–halogen bonds. These bond strengths correlate with the electronegativity of the halogen, decreasing in the order F > Cl > Br > I.Synthetic Route of C4H5IN2

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Intramolecular carbolithiation promoted by a DTBB-catalyzed chlorine-lithium exchange was written by Yus, Miguel;Ortiz, Rosa;Huerta, Fernando F.. And the article was included in Tetrahedron in 2003.Reference of 10297-05-9 This article mentions the following:

The reaction of 6-chloro-1-hexene 1 with lithium powder and a catalytic amount of 4,4′-di-tert-butyl-1,1′-biphenyl (DTBB, 5% molar) in THF at -78° gives the corresponding organolithium intermediate 5-hexenyllithium (2), which by reaction with carbonyl compounds (3-pentanone, pivalaldehyde, benzaldehyde, cyclohexanone, acetophenone) affords, after hydrolysis, the expected carbinols. The same reaction performed at -30° gives corresponding cyclopentylmethyl carbinols, probably by cyclization of the open-chain intermediate 2 to give the cyclopentylmethyllithium compound (4). When the double bond in the starting chloroalkene is disubstituted, as for 6-chloro-2-propyl-1-hexene (6) and (Z)-8-chloro-3-octene (9), the cyclization is inhibited and the corresponding acyclic carbinols were obtained in the reaction with carbonyl compounds However, when the substituent at the same positions is a Ph group in 6-chloro-2-phenyl-1-hexene (12) and (Z)-6-chloro-1-phenyl-1-hexene (15), only the cyclized products, corresponding α-substituted 1-phenylcyclopentaneethanols (14) and 1-substituted 2-cyclopentyl-2-phenylethanols (17) were isolated. In the case of the secondary chloro-derivative, 6-chloro-1-nonene (18), as in the case of 1, the reaction can be directed to both the acyclic or cyclic products, depending on the reaction temperature (-78 or -30°, resp.). For the tertiary chloro derivative, 6-chloro-6-ethyl-1-octene (23), only the cyclic compound, α,α,2,2-tetraethylcyclopentaneethanol (27) could be isolated at -30° due to the instability of the corresponding tertiary organolithium intermediate, which undergoes a proton abstraction even at -78°. From allyl 2-chlorophenyl ether (28) or N,N-diallyl-2-chloroaniline (32), only the corresponding cyclic compounds, α,α-diethyl-2,3-dihydro-1H-benzofuran-3-ethanol (31) and 1-allyl-α,α-diethyl-2,3-dihydro-1H-indole-3-ethanol (33), resp., were isolated either at -78 or at -30°. In all cases a carbanionic cyclization, rather than a radical one, is suggested to occur as preferred mechanistic pathway. In the experiment, the researchers used many compounds, for example, 1-Chloro-4-iodobutane (cas: 10297-05-9Reference of 10297-05-9).

1-Chloro-4-iodobutane (cas: 10297-05-9) belongs to iodide derivatives. Organoiodine compounds occur widely in organic chemistry, but are relatively rare in nature. The C–I bond is the weakest of the carbon–halogen bonds. These bond strengths correlate with the electronegativity of the halogen, decreasing in the order F > Cl > Br > I.Reference of 10297-05-9

Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com