Month: November 2022

Rubenacker, Gerald V. published the artcileNitrogen-14 nuclear quadrupole resonance spectra of coordinated pyridine. An extended evaluation of the coordinated nitrogen model, SDS of cas: 6443-90-9, the publication is Inorganic Chemistry (1980), 19(2), 392-8, database is CAplus.

The ¹⁴N NQR spectra at 77 K of several solid pyridine complexes with a wide range of Lewis acids were measured by a double-resonance method. The data are interpreted in terms of a coordinated N model, which permits an estimation of σ, the occupancy of the N donor orbital directed toward the Lewis acid. The values observed for σ in a series of pyridinium salts permit an ordering of the strength of H bonding to the anions: HSO₄^– â‰?NO₃^– > Cl^– > ClO₃^– > Br^– > ClO₄^–. The ¹⁴N NQR data correlate well with the NQR data for the H-bonded ²H in these compounds From comparisons of σ values it is possible to order the acidities of the Lewis acids as follows: Li⁺ < Ag⁺ < Cd²⁺ â‰?Mo(0) â‰?Cr(0) < Zn²⁺ â‰?Hg²⁺ âˆ?Fe(0) < BR₃ < BCl₃ < BBr₃ < SO₃ < H⁺ â‰?CH₃⁺. The relative positions in a few cases are uncertain because an insufficient number of complexes was studied to date.

Inorganic Chemistry published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C5H5ClIN, SDS of cas: 6443-90-9.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Piers, Edward published the artcileStereoselective total synthesis of copa and ylango sesquiterpenoids. Preparation of (-)-(1S,4S,5R,7R)-1,7-dimethyl-4-isopropylbicyclo[3.2.1]octa-6,8-dione and (+)-(1R,4S,5S,7S)-1,7-dimethyl-4-isopropylbicyclo[3.2.1]octa-6,8-dione, Synthetic Route of 31253-08-4, the publication is Canadian Journal of Chemistry (1975), 53(19), 2827-37, database is CAplus.

The efficient, stereoselective syntheses of 2 diastereomeric bicyclo[3.2.1]octadiones (I, II) are described and the potential use of these materials for the synthesis of the copa (III, R,R1 = O; R = H,R1 = OH, R = OH, R1 = H; IV, V and the ylango (VI,RR1 = O;R = H,R1 = OH;R = OH,R1 = H; VII,VIII) sesquiterpenoids, resp., is outlined. Conversion of (+)-carvomenthone (IX,Z = H2) into the corresponding n-butylthiomethylene derivative [IX,Z = CHS(CH2)3Me], followed by alkylation of the latter with EtO2CCHIMe, gave dione [X,R = Et,Z = CHS(CH2)3Me]. Removal of the blocking group from the latter was accompanied by ester hydrolysis and afforded keto acid (X,R = H,Z = H2). An efficient intramolecular Claisen condensation of the corresponding ester (X,R = Me,Z = H2) yielded (-)-(1S,4S,5R,7R)-1,7-dimethyl-4-isopropylbicyclo[3.2.1]octa-6,8-dione (I). Conversion of the known octalone XI (R = H,Z = H2) into the cross-conjugated keto aldehyde XII was accomplished by standard reactions. Treatment of the latter with LiCuMe2, followed by trapping of the resultant enolate anion with AcCl gave XI(R = Me,Z = CHOAc). Oxidative ozonolysis of this material yielded the keto acid XIII (R = H). Esterification of the latter, followed by intramol. Claisen condensation of the resulting keto ester XIII,R = Me, afforded (+)-(1R,4S,5S,7S)-1,7-dimethyl-4-isopropylbicyclo[3.2.1]octa-6,8-dione (II).

Canadian Journal of Chemistry published new progress about 31253-08-4. 31253-08-4 belongs to iodides-buliding-blocks, auxiliary class Iodide,Ester, name is Ethyl 2-Iodopropionate, and the molecular formula is C5H9IO2, Synthetic Route of 31253-08-4.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Baker, Wilson published the artcilePreparation of iodine-containing x-ray contrast substances. I. 3,5-Diiodo-4-pyridone-N-acetic acid (“Perabrodil”), Application of 2-(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid, the publication is Journal of the Society of Chemical Industry, London (1943), 189-91, database is CAplus.

The synthesis of 3,5-diiodo-4-pyridone-1-acetic acid (I), m. 247°, used for the visulization of the urinary tract, was effected by the following steps: pyridine, containing 2% AlCl₃, in (CHCl₂)₂ was treated with 1 mol. Br at room temperature for 48 hrs., thus forming 4-pyridylpyridinium bromide-HBr, the aqueous solution of which, after freeing from (CHCl₂)₂, was hydrolyzed at 150° for 8 hrs., giving rise to a solution of pyridine-HBr and 4(1)-pyridone (II). This mixture was iodinated directly in aqueous NaOH by boiling with iodine and by making the solution alternately acid with concentrated HCl and alk. with 20% NaOH, 6 times during the course of 1 hr. The mechanism of the iodination is obscure; the product is 3,5-diiodo-4-pyridone (III) obtained, on final acidification and treatment with SO₂, as a cream-colored precipitate Moist III (250 g.) in warm aqueous NaOH (48 g. in 460 ml. H₂O) was heated with 60 g. CH₂ClCO₂H for 1 hr. and then treated with powd. NaCl. The separated Na salt of I yielded 107 g. I on acidification. I is polymorphous, crystallizing from H₂O in hexagonal plates, needles, or fernlike crystals.

Journal of the Society of Chemical Industry, London published new progress about 101-29-1. 101-29-1 belongs to iodides-buliding-blocks, auxiliary class Pyridine,Iodide,Carboxylic acid,Ketone, name is 2-(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid, and the molecular formula is C7H5I2NO3, Application of 2-(3,5-Diiodo-4-oxopyridin-1(4H)-yl)acetic acid.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Poleshchuk, O. Kh. published the artcileHFI and DFT study of the bonding in complexes of halogen and interhalogen diatomics with Lewis base, Related Products of iodides-buliding-blocks, the publication is Journal of Molecular Structure: THEOCHEM (2006), 760(1-3), 175-182, database is CAplus.

We have analyzed by means of DFT calculations with use of the pseudo-potential the nuclear quadrupole coupling constants of a range of XY···B complexes (n aσ type in Mulliken notation) formed between diat. interhalogen mols. XY and Lewis bases B. The geometrical parameters, rotational and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave spectroscopy in the gas phase. An anal. of the quality of the calculations that employ the pseudo-potential and the expanded basis set for the halogen compounds was carried out. The ZORA model is shown to be a viable alternative to the computationally demanding BH and HLYP model for the calculation of halogen and nitrogen coupling constants in mols. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of iodine nuclear quadrupole coupling constants From electron partitioning analyses and Klopman’s approach it follows that for the ICl···B complexes the electrostatic bonding is predominant relative to covalent bonding.

Journal of Molecular Structure: THEOCHEM published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C5H5ClIN, Related Products of iodides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Borisevich, A. N. published the artcileSynthesis and growth regulating effect of substituted 1-acylpyrazole, Computed Properties of 39115-95-2, the publication is Fiziologicheski Aktivnye Veshchestva (1977), 47-52, database is CAplus.

Of 13 title compounds I[R = Ph, C₆H₄O-p-Me, C₆H₄–p-Cl, C₆H₄–p-Br, C₆H₄–p-I, C₆H₄–p-NO₂, 3,4,5-(H₃CO)₃C₆H₃, Ph-p-NH₂, or NH₂; R¹ and R² = Me or NHPh; X = O or S], 0.0001% 1-p-bromobenzoyl-3-anilino-5-methylpyrazole [64808-38-4] and 0.001% 1-p-nitrobenzoyl-3-anilino-5-methylpyrazole [64808-42-0] stimulated the growth of lettuce and oats, resp.

Fiziologicheski Aktivnye Veshchestva published new progress about 39115-95-2. 39115-95-2 belongs to iodides-buliding-blocks, auxiliary class Iodide,Hydrazine,Amine,Benzene,Hydrazide,Amide, name is 4-Iodobenzohydrazide, and the molecular formula is C7H7IN2O, Computed Properties of 39115-95-2.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Bowmaker, Graham A. published the artcileAn SCF-MS-Xα study of the bonding and nuclear quadrupole coupling on 1:1 complexes of amines with diatomic halogens and interhalogens, Name: Pyridine Iodochloride complex, the publication is Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics (1987), 83(12), 2211-23, database is CAplus.

SCF-MS-Xα calculations of the electronic structure of the 1:1 complexes of pyridine with I₂, IBr, and ICl, and of the 1:1 trimethylamine-I₂ complex were carried out to investigate the bonding and nuclear quadrupole coupling in these mols. Good agreement (to within 10% in most cases) was obtained between the calculated and observed halogen nuclear quadrupole coupling constants for these mols. The agreement in the case of the nitrogen quadrupole coupling parameters was not as good, but the calculations do support some of the previously reported conclusions concerning the changes in the nitrogen orbital populations which occur upon complex formation. The results essentially support previous conclusions, based on analyses of the exptl. quadrupole coupling data by using the Townes-Dailey method, concerning the extent of charge transfer and the distribution of the transferred charge in these mols. They are, however, at variance with some of the results obtained from chem. shifts in the photoelectron spectra. The elec. dipole moments of the mols. were also calculated These are âˆ?0% higher than the highest reported exptl. values, but show the expected trends from one compound to another.

Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics published new progress about 6443-90-9. 6443-90-9 belongs to iodides-buliding-blocks, auxiliary class Pyridines, name is Pyridine Iodochloride complex, and the molecular formula is C5H5ClIN, Name: Pyridine Iodochloride complex.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Guillou, Sandrine published the artcileSimple preparations of 4 and 5-iodinated pyrazoles as useful building blocks, Recommanded Product: 4-Iodo-3-(trifluoromethyl)-1H-pyrazole, the publication is Tetrahedron (2011), 67(44), 8451-8457, database is CAplus.

The pyrazole nucleus has recently become a recurrent scaffold in the research fields of CropScience and oncol. We report here the preparation of an array of 4- and 5-iodinated pyrazole derivatives, such as 4-iodo-3-trifluoromethylpyrazole or Et 5-iodo-4-carboxy-3-trifluoromethylpyrazoles. This work provide access to many new pyrazole derivative, including eleven original out of sixteen iodinated building blocks, thus opening accesses to new chem. entities featuring a pyrazole nucleus.

Tetrahedron published new progress about 866638-72-4. 866638-72-4 belongs to iodides-buliding-blocks, auxiliary class Trifluoromethyl,Pyrazole,Fluoride,Iodide, name is 4-Iodo-3-(trifluoromethyl)-1H-pyrazole, and the molecular formula is C4H2F3IN2, Recommanded Product: 4-Iodo-3-(trifluoromethyl)-1H-pyrazole.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Baillie, Sharon E. published the artcilePotassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates, Safety of 4-Iodo-3-methoxypyridine, the publication is Chemical Communications (Cambridge, United Kingdom) (2014), 50(85), 12859-12862, database is CAplus and MEDLINE.

Using structurally well-defined dipotassium-tetra(alkyl)magnesiates, a new straightforward methodol. to promote regioselective Mg-H exchange reactions of a wide range of aromatic and heteroaromatic substrates is disclosed. E.g., reaction of anisole with (PMDETA)₂K₂Mg(CH₂SiMe₃)₂ in hexane at 20° followed by excess I₂ gave p-IC₆H₂OMe in 92% yield. Contacted ion pair intermediates probably are involved, with K being the key to facilitate the magnesiation processes.

Chemical Communications (Cambridge, United Kingdom) published new progress about 1331850-50-0. 1331850-50-0 belongs to iodides-buliding-blocks, auxiliary class Pyridine,Iodide,Ether,Pyridine, name is 4-Iodo-3-methoxypyridine, and the molecular formula is C6H6INO, Safety of 4-Iodo-3-methoxypyridine.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Arazi, Eden published the artcileA regulatory domain in the K_2P2.1 (TREK-1) carboxyl-terminal allows for channel activation by monoterpenes, Computed Properties of 41270-96-6, the publication is Molecular and Cellular Neuroscience (2020), 103496, database is CAplus and MEDLINE.

Potassium K_2P (leak) channels conduct current across the entire physiol. voltage range and carry leak or background currents that are, in part, time- and voltage-independent. K_2P2.1 channels (i.e., TREK-1, KCNK2) are highly expressed in excitable tissues, where they play a key role in the cellular mechanisms of neuroprotection, anesthesia, pain perception, and depression. Here, we report for the first time that human K_2P2.1 channel activity is regulated by monoterpenes (MTs). We found that cyclic, aromatic monoterpenes containing a phenol moiety, such as carvacrol, thymol and 4-IPP had the most profound effect on current flowing through the channel (up to a 6-fold increase). By performing sequential truncation of the carboxyl-terminal domain of the channel and testing the activity of several channel regulators, we identified two distinct regulatory domains within this portion of the protein. One domain, as previously reported, was needed for regulation by arachidonic acid, anionic phospholipids, and temperature changes. Within a second domain, a triple arginine residue motif (R344-346), an apparent PIP₂-binding site, was found to be essential for regulation by holding potential changes and important for regulation by monoterpenes.

Molecular and Cellular Neuroscience published new progress about 41270-96-6. 41270-96-6 belongs to iodides-buliding-blocks, auxiliary class Pyrimidine,Iodide,Benzene,Immunology/Inflammation,MIF, name is 4-Iodo-6-phenylpyrimidine, and the molecular formula is C10H7IN2, Computed Properties of 41270-96-6.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com

Blair, Victoria L. published the artcileAlkali-metal mediated zincation of N-heterocyclic substrates using the lithium zincate complex, (THF)Li(TMP)Zn(tBu)₂ and applications in in situ cross coupling reactions, Name: 4-Iodo-3-methoxypyridine, the publication is Tetrahedron Letters (2011), 52(36), 4590-4594, database is CAplus.

This study investigates the ability of the mixed-metal reagent [Li(TMP)Zn(tBu)₂] (I) to promote direct Zn-H exchange reactions (zincations) of a wide range of N-heterocyclic mols. The generated metalated intermediates from these reactions are intercepted with I₂ to yield iodoheterocycles, e.g. 3-iodo-2-methoxypyridine, and some of them are also employed as precursors in Pd-catalyzed Negishi cross-coupling applications yielding arylated N-heterocycles, e.g. 4-(4-chlorophenyl)-2-methoxypyridine. A comparison with recent precedents in metalation chem. reveals that for some of these heterocycles, I allows improved conversions, under milder conditions and in certain cases, even gives unique regioselectivities.

Tetrahedron Letters published new progress about 1331850-50-0. 1331850-50-0 belongs to iodides-buliding-blocks, auxiliary class Pyridine,Iodide,Ether,Pyridine, name is 4-Iodo-3-methoxypyridine, and the molecular formula is C6H6INO, Name: 4-Iodo-3-methoxypyridine.

Referemce:
https://en.wikipedia.org/wiki/Iodide,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com