Tag: M.W=150-200

Zawadowski, Teodor published the artcileSynthesis of 3-carboxy-2,7-dimethylfuro[2,3-f]benzofuran and some of its derivatives with expected pharmacological activity. I, Application In Synthesis of 4584-49-0, the publication is Acta Poloniae Pharmaceutica (1986), 43(1), 13-17, database is CAplus.

O-Alkylation of benzofuran I (R = H) with BrCH₂CO₂Et gave I (R = CH₂CO₂Et), which was saponified with KOH and cyclized (NaOAc in Ac₂O) to benzodifuran II. II was converted to Me, Et, and several tertiary 2-aminoalkyl esters, isolated as HCl salts.

Acta Poloniae Pharmaceutica published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C6H8N2O2S, Application In Synthesis of 4584-49-0.

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

Salvanna, N. published the artcilePd(OAc)₂ catalyzed C-H activation of 1,3,4-oxadiazoles and their direct oxidative coupling with benzothiazoles and aryl boronic acids using Cu(OAc)₂ as an oxidant, Recommanded Product: 2-Chloro-4-methylphenylboronic acid, the publication is Tetrahedron (2013), 69(9), 2220-2225, database is CAplus.

The first direct oxidative coupling of 1,3,4-oxadiazoles with benzothiazoles has been accomplished using Pd(OAc)₂ as a catalyst and Cu(OAc)₂ as an oxidant. The similar combination of the catalyst and the oxidant has also been applied for direct arylation of 1,3,4-oxadiazoles with aryl boronic acids. Several novel oxadiazole derivatives e. g., I. II have been prepared in high yields following both the methods.

Tetrahedron published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H8BClO2, Recommanded Product: 2-Chloro-4-methylphenylboronic acid.

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

Vikas published the artcileDoes electron-correlation has any role in the quantitative structure-activity relationships?, Quality Control of 350-30-1, the publication is Journal of Molecular Graphics & Modelling (2013), 7-16, database is CAplus and MEDLINE.

For developing quant. structure-activity relationships (QSARs), quantum-mech. mol. descriptors based on the state-of-the-art quantum-mech. methods such as Hartree-Fock (HF) method and d.-functional theory (DFT), are now routinely employed. The validity of these quantum-mech. methods, however, rests on the accurate estimation of electron-correlation energy. This work analyses the role of electron-correlation, using correlation energy as a mol. descriptor, in the QSARs. In particular, QSAR models, for the mutagenic activity of a set of nitrated polycyclic aromatic hydrocarbons (nitro-PAHs), are examined for the role of electron-correlation through state-of-the-art external validation parameters such as concordance correlation coefficient and recently proposed predictive squared correlation coefficients, namely, Q²_F1, Q²_F2, and Q²_F3 etc. The electron-correlation contribution to the highest occupied and LUMO (HOMO/LUMO) energies is also analyzed. QSAR models based on the semi-empirical quantum-mech. methods like PM6 and RM1 are also compared. It is found that the models, developed using electron-correlation contribution of the quantum-mech. descriptors, are not only robust but also relatively more predictive than those developed with the HF and DFT descriptors. The latter are found to be even less reliable than PM6 and RM1 descriptors based models, which show comparable robustness and predictivity with those developed using electron correlation based descriptors. The external predictivity of model based on semi-empirical descriptors can be improved if electron-correlation contribution of the quantum-mech. descriptors is explicitly included in the model. This work reports the first-ever use of electron-correlation energy and its contribution to the HOMO/LUMO energies as mol. descriptors.

Journal of Molecular Graphics & Modelling published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C15H12O8, Quality Control of 350-30-1.

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

Mirzaei, Hamid published the artcileEnhancing Electrospray Ionization Efficiency of Peptides by Derivatization, Product Details of C7H16ClNO2, the publication is Analytical Chemistry (2006), 78(12), 4175-4183, database is CAplus and MEDLINE.

With the advent of electrospray ionization mass spectrometry, the world was given a new way to look at complex peptide mixtures Identification of proteins via their signature peptides requires ionization of a representative portion of the peptides derived from proteins by proteolysis. Unfortunately, matrix effects prohibited electrospray ionization of many peptides. This paper describes the development of a new labeling reagent that simultaneously adds a permanent pos. charge to peptides and increases their hydrophobicity to enhance their ionization efficiency. The labeling agent is preactivated with N-hydroxysuccinimide to react with primary amines to form a peptide bond. In the most dramatic case, ionization efficiency of the peptide ADRDQYELLCLDNTRKPVDEYK increased 500-fold after derivatization as opposed to other peptides where ionization efficiency was impacted little. Ionization efficiency of peptides was enhanced roughly 10-fold in general by derivatization. Peptides of less than 500 Da experienced the greatest increase in ionization efficiency by derivatization. Poor ionization efficiency of native peptides was due more to their inherent structural properties than the matrix in which ionization occurs.

Analytical Chemistry published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Product Details of C7H16ClNO2.

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

Kuchar, Miroslav published the artcileQuantitative relationships between the structure and inhibition of aggregation of thrombocytes in the group of arylaliphatic acids, Computed Properties of 33697-81-3, the publication is Cesko-Slovenska Farmacie (1983), 32(3-4), 116-21, database is CAplus and MEDLINE.

The distribution coefficients (P) of 51 previously prepared arylaliph. acids (I, II, III; R = H or Me; X = alkyl or alicyclic hydrocarbon, H, OH, alkoxy or halogenated hydrocarbon) were determined in an n-octanol-H₂O system or calculated from data available in the literature. The activity of the compounds in inhibiting the collagen-induced aggregation of human thrombocytes (C^A) was determined by comparison with that of ibuprofen. For the compounds having hydroxy or alkoxy substituents on the aryl group, the correlation between lipophilicity (log P) and the relative inhibitory activity (C^A) was described by the equation log (1/C^A) = 0.817 + 1.255 log P-0.167 (log P)²; for the remaining compounds, the equation was log (1/C^A) = 1.307 + 0.383 log P. The antiaggregative activity decreased with increasing chain length between the carboxyl and Ph groups. The activity increased in compounds with a branch on the acid α-carbon.

Cesko-Slovenska Farmacie published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Computed Properties of 33697-81-3.

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

Benmohammed, Abdelmadjid published the artcileSynthesis and antimicrobial activities of new thiosemicarbazones and thiazolidinones in indole series, COA of Formula: C7H6Cl2, the publication is Monatshefte fuer Chemie (2021), 152(8), 977-986, database is CAplus.

New thiosemicarbazones I [R¹ = H, 3-Cl, 4-F, etc.; R² = H, OMe] were synthesized via condensation of N-benzylindole-3-carboxaldehydes with N⁴-substituted thiosemicarbazides in excellent yield. These thiosemicarbazones I were reacted with Et bromoacetate to produce original heterocyclic-substituted indole derivatives possessing a 4-oxo-thiazolidine group II. Anal. IR and NMR spectra and elemental anal. were performed to reveal their structures. The antimicrobial activity of all synthesized compounds was evaluated for antibacterial activity in vitro against Gram-pos. and Gram-neg. bacteria. Antibacterial screening data showed that two compounds I and II demonstrated activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa. These preliminary results indicated that newly synthesized compounds such as I [R¹ = 3-Cl, R² = OMe] and II [R¹ = H, R² = H] showed a promising antibacterial potency.

Monatshefte fuer Chemie published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.

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

Redon, Sebastien published the artcileGreen Synthesis of Diaryl Selenides from Arylboronic Acids and Arylseleninic Acids, Application In Synthesis of 871332-95-5, the publication is Synlett (2022), 33(5), 483-487, database is CAplus.

A new method of deborylative selanylation using arylboronic acids and arylseleninic acids gave diaryl selenoethers and diarylselenoxide. The present approach required only equimolar arylseleninic acid and led selectively to selenoethers or selenoxides depending on the solvent. The method was metal-free, base- or oxidant-free, efficient, and environmentally friendly.

Synlett published new progress about 871332-95-5. 871332-95-5 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Nitrile,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is (4-Chloro-3-cyanophenyl)boronic acid, and the molecular formula is C7H5BClNO2, Application In Synthesis of 871332-95-5.

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

Akintola, Oluwafemi published the artcileIntrinsic Nucleophilicity of Inverting and Retaining Glycoside Hydrolases Revealed Using Carbasugar Glyco-Tools, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is ACS Catalysis (2021), 11(15), 9377-9389, database is CAplus.

Hydrolyzes of cyclohexenyl-based carbasugars that mimic either α-D-glucose or α-D-galactose were explored with two Bacteroides thetaiotaomicron enzymes from glycoside hydrolase family 97: an inverting α-glucosidase (BtGH97a) and a retaining α-galactosidase (BtGH97b). Specifically, the kinetic data for the inverting α-glucosidase is consistent with the reaction giving a hydrolyzed inverted carbaglucose product by a mechanism that proceeds with little nucleophilic participation by the bound water mol. at the reaction transition state. The enzymic rate constant ratio for the Ph carbasugars contrasts with the corresponding kinetic data obtained using natural substrate Ph glycopyranosides. This modest difference in rate constants underscores our conclusion that retaining glycoside hydrolases may not have optimized the nucleophilicity of their active site nucleophiles with the result that the transition state free energies for formation and hydrolysis of the covalent enzyme intermediate are matched.

ACS Catalysis published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Grob, C. A. published the artcileThe nature of the inductive effect, Category: chlorides-buliding-blocks, the publication is Chemistry & Industry (London, United Kingdom) (1955), 1222-3, database is CAplus.

The acidity constants of the α-, β-, and γ-betaine hydrochlorides (ClMe₃N(CH₂)_nCO₂H, where n = 1, 2, and 3, resp.); of the 2-, 3-, and 4-carboxylic acids of N,N-dimethylpiperidinium chloride; and of the 2-, 3-, and 4-carboxylic acids of N-methylquinuclidinium chloride were measured. The magnitude of the acid-strengthening effect decreased proportionally to direct distance rather than to chain length. The so-called general inductive effect appears as a function of the direct distance between electrostatically interacting groups and the dielec. constant of the intervening medium, which can be a chain of atoms, solvent, or empty space, according to the geometry of the system.

Chemistry & Industry (London, United Kingdom) published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Category: chlorides-buliding-blocks.

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

Arvanitis, Argyrios G. published the artcileImidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands, SDS of cas: 209919-30-2, the publication is Bioorganic & Medicinal Chemistry Letters (2003), 13(1), 129-131, database is CAplus and MEDLINE.

A series of high affinity CRF receptor ligands, e.g., I, with an imidazo[4,5-c]pyridine core is described. Individual analogs were synthesized and tested in vitro in rat brain receptors to determine binding affinity. I was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po.

Bioorganic & Medicinal Chemistry Letters published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, SDS of cas: 209919-30-2.

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