Month: December 2022

Haque, Inamul published the artcileInfrared spectra of pyridine-halogen complexes, Synthetic Route of 6443-90-9, the publication is Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (1967), 23(1), 959-67, database is CAplus.

The IR spectra of the complexes C5H5N.I2, C5H5N.IBr, C5H5N.ICl, and C5H5N.ICN have been examined, in a range of environments. In polar solvents the ionization 2C5H5N.IX ⇌ (C5H5N)2.I+ + IX2- takes place. The vibrations of the complexes are assigned and discussed on the basis of a M.O. treatment.

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 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, Synthetic Route of 6443-90-9.

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

Ginn, S. G. W. published the artcileIntermolecular vibrations of charge-transfer complexes, Computed Properties of 6443-90-9, the publication is Transactions of the Faraday Society (1966), 62(4), 777-87, database is CAplus.

The intermol. vibration band was identified in the far-ir spectra of the pyridine-IBr and pyridine-ICl charge-transfer complexes. All the reported observations on these and similar complexes can be accounted for by a simple 3-center mol. orbital treatment.

Transactions of the Faraday Society 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, Computed Properties of 6443-90-9.

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

Siebum, Arjan H. G. published the artcileAccess to any site-directed isotopomer of methionine, selenomethionine, cysteine, and selenocysteine – use of simple, efficient modular synthetic reaction schemes for isotope incorporation, Quality Control of 161370-66-7, the publication is European Journal of Organic Chemistry (2004), 2905-2913, database is CAplus.

Simple modular reaction schemes that allow access to any isotopomer of protected serine and homoserine have been worked out. These systems could be simply converted into cysteine, selenocysteine, homocysteine, homoselenocysteine, the essential amino acid methionine, and selenomethionine by Mitsunobu chem. These sulfur- and selenium-containing amino acids fulfil many essential roles in the living organism. In addition, homoserine could be converted in a few steps into optically active L-vinylglycine. As well as the stable isotopes ¹³C, ¹⁵N, ¹⁷O, and ¹⁸O, the radioactive isotopes of sulfur, selenium and carbon can also be easily introduced in a site-directed fashion. In view of the wide scope of the Mitsunobu reaction, we feel that many more important systems with the carbon skeleton of serine and homoserine should be preparable through this basic chem. in any site-directed isotopically labeled form.

European Journal of Organic Chemistry published new progress about 161370-66-7. 161370-66-7 belongs to iodides-buliding-blocks, auxiliary class Chiral,Iodide,Amine,Aliphatic hydrocarbon chain,Ester,Amide, name is (S)-tert-Butyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate, and the molecular formula is C8H9NOS, Quality Control of 161370-66-7.

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

Mokhtar, Hassan M. published the artcileSynthesis of nitrogenous compounds from δ-unsaturated 1,3-dicarbonyl esters: trisubstituted pyrazoles of possible antimicrobial and hypoglycemic activities and hydrazones with antituberculosis activity, Recommanded Product: 4-Iodobenzohydrazide, the publication is Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry (1985), 24B(2), 188-92, database is CAplus.

R¹CH:CRCOCH₂COCO₂Et (I, R = H, Me, Ph; R¹ = 3-methylbenzofuran-2-yl, 2-phenyl-2H-1,2,3-triazol-4-yl) were prepared by condensing R¹CH:CRCOMe (II) with Et oxalate in dry ether. Treating I with hydrazine and arylhydrazines caused cyclization to the corresponding Et substituted pyrazole-3-carboxylates, e.g., III, which were hydrolyzed to acids or converted into acid hydrazides. Condensing I with acylhydrazines gave hydrazones which were cyclized to the corresponding N-acylpyrazoles. Treating I with HONH₂ gave 3,5-disubstituted isoxazoles, e.g., IV, whereas using o-phenylenediamine gave hydroxyquinoxalines. Reaction of II with arylhydrazines gave the corresponding hydrazones, which on boiling with EtOH-HCl cyclized to pyrazolines. Treating the latter compounds with excess bromine-water gave the brominated pyrazoles. Condensing II with acylhydrazines gave the corresponding acylhydrazones.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 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, Recommanded Product: 4-Iodobenzohydrazide.

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

Zingaro, Ralph A. published the artcileInfrared studies of amine-halogen interactions, Application In Synthesis of 6443-90-9, the publication is Journal of Physical Chemistry (1960), 1705-11, database is CAplus.

The marked changes which are brought about in the 1000-cm.^-1 region of the infrared spectrum of pyridine on the addition of I are generally characteristic of amine-halogen solutions Infrared studies on a series of solutions of amines and halogens revealed corresponding infrared shifts. Several new solid amine-halogen complexes were isolated, and, in every case, the frequency shifts in solution were correlated with infrared bands characteristic of the solids.

Journal of Physical 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 C13H19Br2ClN2O, Application In Synthesis of 6443-90-9.

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

Dowd, Paul published the artcileA general approach to substituted itaconate esters, Application In Synthesis of 31253-08-4, the publication is Synthetic Communications (1993), 23(16), 2307-22, database is CAplus.

General approaches to the synthesis of various itaconates, including 3-substituted esters, are presented. The complementary nature of the 3 methods is also shown. Thus, alkylation of Me₂NCH₂CH₂CO₂Et by treatment with LiN(CHMe₂)₂ (LDA), then RCHXCO₂R² (e.g., R = H, R² = Et, X = Br) affords Me₂NCH₂CH(CO₂R¹)CHRCO₂R² (42-82% yield) which are then quaternized with MeI and treated with DBU to give the elimination products, itaconate diesters RCH(CO₂R²)C(:CH₂)CO₂R¹ (86-93% yield). Deprotonation of Me₂NCH₂CH(CO₂R¹)CH₂CO₂R² (e.g., R¹ = R² = Et) with LDA and subsequent alkylation with RX (e.g., MeI) affords Me₂NCH₂CH(CO₂R¹)CHRCO₂R² in 17-46% yield. Subsequent quaternization and elimination reaction of the latter afford itaconate diesters RCH(CO₂R²)C(:CH₂)CO₂R¹ in good yield. A third alternative procedure consists of deprotonation of (EtO)₂P(O)CH₂CO₂R¹ with NaH, alkylation with RCHXCO₂R² to give (EtO)₂P(O)CH(CO₂R¹)CHRCO₂R² (51-74% yield), and subsequent methylenation with HCHO to give the itaconate diesters in 55-93% yield.

Synthetic Communications 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, Application In Synthesis of 31253-08-4.

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

Nakagawa, Yoshiaki published the artcile3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues. [Erratum to document cited in CA134:174695], SDS of cas: 39115-95-2, the publication is Bioorganic & Medicinal Chemistry (2001), 9(7), 1941, database is CAplus.

The term “log P” was omitted from three sentences in the manuscript. On page 2663, line 16 of the Abstract should read, “The addition of the mol. hydrophobicity, log P, to CoMFA did not improve the correlation significantly.”. On page 2665, line 6 of the right column should read, “The hydrophobic effects were examined using either HINT terms or log P values as an addnl. independent variable.”. On page 2665, line 10 of the right column should read, “The correlations of the biol. activity index with the lattice variables and log P were analyzed by the partial least squares (PLS) method with a column filtering setting of 2 kcal mol^-1.”.

Bioorganic & Medicinal Chemistry 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, SDS of cas: 39115-95-2.

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

Nakagawa, Yoshiaki published the artcile3-D QSAR analysis of inhibition of murine soluble epoxide hydrolase (MsEH) by benzoylureas, arylureas, and their analogues, Category: iodides-buliding-blocks, the publication is Bioorganic & Medicinal Chemistry (2000), 8(11), 2663-2673, database is CAplus and MEDLINE.

Two hundred and seventy-one compounds including benzoylureas, arylureas and related compounds were assayed using recombinant murine soluble epoxide hydrolase (MsEH) produced from a baculovirus expression system. Among all the insect growth regulators assayed, 18 benzoylphenylurea congeners showed weak activity against MsEH. Newly synthesized cyclohexylphenylurea, 1-benzyl-3-phenylurea, and 1,3-dibenzylurea analogs were rather potent. The introduction of a Me group at the para-position of the Ph ring of cyclohexylphenylurea enhanced the activity 6-fold, though similar substituent effects were not seen for any of the benzoylphenylureas. The activities of these compounds, including several previously reported compounds, such as dicyclohexylurea, diphenylurea, and their related analogs, were quant. analyzed using comparative mol. field anal. (CoMFA), a three-dimensional quant. structure-activity relationship (3-D QSAR) method. Both steric and electrostatic factors contributing to variations in the activity were visualized using CoMFA. CoMFA results showed that one side of the cyclohexylurea moiety having a trans-amide conformation (A-ring moiety) is surrounded by large sterically unfavorable fields, while the other side of A-ring moiety and the other cyclohexyl group (B-ring moiety) is encompassed by sterically favored fields. Electrostatically neg. fields were scattered around the entire mol., and a pos. field surrounds the carbon of the carbonyl group. Hydrophobic fields were visualized using Kellogg’s hydropathic interaction (HINT) in conjunction with CoMFA. Hydrophobically favorable fields appeared beside the 4- and 4′-carbon atoms of the cyclohexyl groups, and hydrophobically unfavorable fields surrounded the urea bridge. The addition of the mol. hydrophobicity, it> /it>, to CoMFA did not improve the correlation significantly. The ligand-binding interactions shown by x-ray crystallog. data were rationalized using the results of the CoMFA and HINT analyses, and the essential physicochem. parameters for the design of new MsEH inhibitors were disclosed.

Bioorganic & Medicinal Chemistry 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, Category: iodides-buliding-blocks.

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

Naud, Sebastien published the artcileStructure-Based Design of Orally Bioavailable 1H-Pyrrolo[3,2-c]pyridine Inhibitors of Mitotic Kinase Monopolar Spindle 1 (MPS1), Category: iodides-buliding-blocks, the publication is Journal of Medicinal Chemistry (2013), 56(24), 10045-10065, database is CAplus and MEDLINE.

The protein kinase MPS1 is a crucial component of the spindle assembly checkpoint signal and is aberrantly overexpressed in many human cancers. MPS1 is one of the top 25 genes overexpressed in tumors with chromosomal instability and aneuploidy. PTEN-deficient breast tumor cells are particularly dependent upon MPS1 for their survival, making it a target of significant interest in oncol. The authors report the discovery and optimization of potent and selective MPS1 inhibitors based on the 1H-pyrrolo-[3,2-c]-pyridine scaffold, guided by structure-based design and cellular characterization of MPS1 inhibition, leading to CCT251455. This potent and selective chem. tool stabilizes an inactive conformation of MPS1 with the activation loop ordered in a manner incompatible with ATP and substrate-peptide binding; it displays a favorable oral pharmacokinetic profile, shows dose-dependent inhibition of MPS1 in an HCT116 human tumor xenograft model, and is an attractive tool compound to elucidate further the therapeutic potential of MPS1 inhibition.

Journal of Medicinal Chemistry 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, Category: iodides-buliding-blocks.

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

Kadesch, Richard G. published the artcileThe steric inhibition of resonance in aromatic carbonyl compounds, Name: 4-Iodobenzohydrazide, the publication is Journal of the American Chemical Society (1941), 1310-14, database is CAplus.

The d., ns and dielec. constants were measured of benzene solutions of acetophenone, acetylmesitylene, acetyldurene, BzH, mesitylaldehyde, BzCl, 2,4,6-Me₃C₆H₂COCl and benzophenone. From these data it is shown by the method of Birtles and Hampson (cf. C. A. 31, 2198.9) that the resonance of compounds of the type PhCOR involving quinoid structures may be inhibited by 2 o-Me groups. This inhibition of resonance is purely a steric effect in which the o-Me groups block the attainment of the completely coplanar configuration necessary in the quinonoid structure. The steric effect depends on the size of the COR group, being absent in the small CHO group while COMe and COCl lead to readily observable effects.

Journal of the American Chemical Society 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, Name: 4-Iodobenzohydrazide.

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