Month: October 2022

Jadhav, Amol Maruti; Balwe, Sandip Gangadhar; Kim, Jong Su; Lim, Kwon Taek; Jeong, Yeon Tae published the artcile< Indium(III)chloride catalyzed synthesis of novel 1H-pyrazolo[1,2-b]phthalazine-5,10-diones and 1H-pyrazolo[1,2-a]pyridazine-5,8-diones under solvent-free condition>, Related Products of 21667-62-9, the main research area is phthalhydrazide aryl aldehyde benzoylacetonitrile indium tandem three component cyclocondensation; aryl amino benzoyl pyrazolophthalazinedione preparation green chem; dioxopyridazine aryl aldehyde benzoylacetonitrile indium tandem three component cyclocondensation; amino aryl benzoyl pyrazolopyridazinedione preparation green chem.

An efficient, inexpensive and environmentally friendly synthesis of novel 3-amino-2-benzoyl-1-aryl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione and 3-amino-2-benzoyl-1-aryl-1H-pyrazolo[1,2-a]pyridazine-5,8-dione derivatives were developed via one-pot three-component reaction of phthalhydrazide or maleic hydrazide, aryl aldehydes and substituted benzoylacetonitriles in the presence of catalytic amount of InCl3 as a Lewis acid catalyst under solvent-free conditions. A mild reaction conditions, short reaction times, high yields and a wide range of functional group tolerance were the most important features of this protocol.

Tetrahedron Letters published new progress about Aryl aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Related Products of 21667-62-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Hartz, Richard A.; Ahuja, Vijay T.; Nara, Susheel J.; Kumar, C. M. Vijaya; Manepalli, Raju K. V. L. P.; Sarvasiddhi, Sarat Kumar; Honkhambe, Swarnamba; Patankar, Vidya; Dasgupta, Bireshwar; Rajamani, Ramkumar; Muckelbauer, Jodi K.; Camac, Daniel M.; Ghosh, Kaushik; Pokross, Matthew; Kiefer, Susan E.; Brown, Jeffrey M.; Hunihan, Lisa; Gulianello, Michael; Lewis, Martin; Lippy, Jonathan S.; Surti, Neha; Hamman, Brian D.; Allen, Jason; Kostich, Walter A.; Bronson, Joanne J.; Macor, John E.; Dzierba, Carolyn D. published the artcile< Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors>, SDS of cas: 38487-85-3, the main research area is quinazoline quinoline preparation analgesic AAK1 inhibitor.

Investigation of the structure-activity relationships (SARs) of substituents on the resultant quinazoline and quinoline ring systems led to the identification of (S)- I =[R1 = CN, R2 = H], a brain-penetrant, AAK1-selective inhibitor with improved enzyme and cellular potency. The synthesis, SAR, and in vivo evaluation of a series of quinazoline and quinoline-based AAK1 inhibitors were described herein.

Journal of Medicinal Chemistry published new progress about Analgesics. 38487-85-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C8H8N2O, SDS of cas: 38487-85-3.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mo, Xueling; Chen, Bin; Zhang, Guozhu published the artcile< Copper-Catalyzed Enantioselective Sonogashira Type Coupling of Alkynes with α-Bromoamides>, Category: nitriles-buliding-blocks, the main research area is copper catalyst enantioselective Sonogashira coupling alkyne alpha bromoamide; Sonogashira reaction; copper catalysis; enantioselectivety; terminal alkynes; α-bromoamide.

An asym. copper-catalyzed Sonogashira type coupling between alkynes and α-bromoamides was developed. This method represents a facile approach to synthetically useful β, γ-alkynyl amides from two readily available starting materials in a highly enantioselective manner. A Bisoxazoline diphenylaniline (BOPA) serves as the effective chiral ligand. Preliminary mechanistic studies support the formation of alkyl radical species.

Angewandte Chemie, International Edition published new progress about Alkynes Role: RCT (Reactant), RACT (Reactant or Reagent). 94087-40-8 belongs to class nitriles-buliding-blocks, and the molecular formula is C7H3ClFN, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Amini, Mohsen; Golabchifar, Ali A.; Dehpour, Ahmad R.; Pirali, Hamedani M.; Shafiee, Abbas published the artcile< Synthesis and calcium channel antagonist activity of new 1,4-dihydropyridine derivatives containing dichloroimidazolyl substituents>, Name: 2,2-Diethoxyacetonitrile, the main research area is calcium channel antagonist dihydropyridine derivative structure design lipophilicity; cardiovascular calcium channel antagonist dihydropyridine structure design.

A group of dialkyl, dicycloalkyl and diaryl ester analogs of nifedipine (CAS 21829-25-4), in which the ortho-nitrophenyl group at position 4 is replaced by a 4,5-dichloroimidazolyl substituent, were synthesized and evaluated as calcium channel antagonists using the high K+ contraction of guinea-pig ileal longitudinal smooth muscle. The results for the sym. esters in alkyl esters series showed that increasing the length of the methylene chain in C3 and C5 ester substituents (from n = 0 to n = 2) increased the activity. When increasing of the length was accompanied by increase of the hindrance, the activity decreased. In the unsym. diester series, the results showed when R1 is a small substituent (R1 = Me), increasing of the lipophilic property in R2 substituent increases the activity if this high lipophilicity is not accompanied by steric hindrance. The results demonstrate that in the unsym. series, several compounds (benzyl Me, benzyl iso-Pr and cyclohexyl ethyl) had activity similar to that of the reference drug nifedipine. In sym. diesters compounds, the most active compound was the diphenethyl ester derivative being more active than nifedipine. These structure-activity data indicate that the 4-(4,5-dichloroimidazolyl) moiety is the bioisoester of 3-nitrophenyl and 2,3-dichlorophenyl moieties.

Arzneimittel-Forschung published new progress about Calcium channel blockers. 6136-93-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C6H11NO2, Name: 2,2-Diethoxyacetonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Kelly, T. Ross; Bell, Stephen H.; Ohashi, Naohito; Armstrong-Chong, Rosemary J. published the artcile< Synthesis of (±)-fredericamycin A>, HPLC of Formula: 6136-93-2, the main research area is fredericamycin A total synthesis.

The synthesis of (±)-Fredericamycin A (I) and supporting studies are reported. In model studies the parent spiro system was constructed from C6H4(CO2Me)2-o and indene. Synthons for the upper and lower units of I were prepared, followed by regiospecific coupling and elaboration of the resulting product into I.

Journal of the American Chemical Society published new progress about 6136-93-2. 6136-93-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C6H11NO2, HPLC of Formula: 6136-93-2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Elmaaty, Tarek Abou; Sofan, Mamdouh; Kosbar, Tamer; Elsisi, Hanan; Negm, Ilham published the artcile< Green Approach to Dye PET and Nylon 6 Fabrics with Novel Pyrazole Disperse Dyes under Supercritical Carbon Dioxide and Its Aqueous Analogue>, Computed Properties of 21667-62-9, the main research area is polyethylene terephthalate nylon fabric pyrazole disperse dye; supercritical carbon dioxide green chem color property.

The development of a water-free dyeing process for synthetic fabrics is of great importance for the textile industry due to environmental and economic reasons. In this study, a series of novel 3-(3-chlorophenyl)-l-phenyl-4-(diazenyl derivatives)-lH-pyrazol-5-amine dyes were specifically synthesized for use with supercritical carbon dioxide. The new dyes were characterized by MS, IR, and NMR spectral data, and the results were found to be in good agreement with the proposed structures. The new dye stuffs were applied to dye polyester and nylon 6 fabrics under supercritical carbon dioxide and aqueous media. The color uptake expressed through the color strength (K/S) was assessed, and the values obtained showed that the dyeing of polyester and nylon 6 fabrics using the scCO2 method was significantly better than that using the aqueous method. The fastness properties of all the dyed fabrics were evaluated and exhibited excellent results. Raman micro spectroscopy indicated conclusively that the dye absorbance took place through all layers of the fabrics. Elimination of water and its costly processing can now be achieved in the dyeing of synthetic fabrics.

Fibers and Polymers published new progress about Anionic dispersants (Dispex). 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Computed Properties of 21667-62-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Sun, Haoran; DiMagno, Stephen G. published the artcile< Room-temperature nucleophilic aromatic fluorination: experimental and theoretical studies>, Name: 3-Chloro-2-fluorobenzonitrile, the main research area is fluorination aromatic tetrabutylammonium fluoride; fluorobenzene preparation.

The use of anhydrous tetrabutylammonium fluoride in nucleophilic aromatic substitution reactions, including variants of the selective halogen-exchange and fluorodenitration processes, was investigated. It was shown that TBAF permits these reactions to be performed under surprisingly mild conditions if it is used in relatively nonpolar media.

Angewandte Chemie, International Edition published new progress about Aromatic nitro compounds Role: RCT (Reactant), RACT (Reactant or Reagent). 94087-40-8 belongs to class nitriles-buliding-blocks, and the molecular formula is C7H3ClFN, Name: 3-Chloro-2-fluorobenzonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ghosh, Arun K.; Takayama, Jun; Aubin, Yoann; Ratia, Kiira; Chaudhuri, Rima; Baez, Yahira; Sleeman, Katrina; Coughlin, Melissa; Nichols, Daniel B.; Mulhearn, Debbie C.; Prabhakar, Bellur S.; Baker, Susan C.; Johnson, Michael E.; Mesecar, Andrew D. published the artcile< Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease>, Quality Control of 103261-68-3, the main research area is SARS CoV Coronavirus severe acute respiratory syndrome; naphthalene derivative SAR preparation antiviral agent.

We describe here the design, synthesis, mol. modeling, and biol. evaluation of a series of small mol., nonpeptide inhibitors of SARS-CoV PLpro. Our initial lead compound was identified via high-throughput screening of a diverse chem. library. We subsequently carried out structure-activity relationship studies and optimized the lead structure to potent inhibitors that have shown antiviral activity against SARS-CoV infected Vero E6 cells. Upon the basis of the X-ray crystal structure of inhibitor (III)-bound to SARS-CoV PLpro, a drug design template was created. Our structure-based modification led to the design of a more potent inhibitor, (I) (enzyme IC50 = 0.46 μM; antiviral EC50 = 6 μM). Interestingly, its methylamine derivative, (II), displayed good enzyme inhibitory potency (IC50 = 1.3 μM) and the most potent SARS antiviral activity (EC50 = 5.2 μM) in the series. We have carried out computational docking studies and generated a predictive 3D-QSAR model for SARS-CoV PLpro inhibitors.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 103261-68-3 belongs to class nitriles-buliding-blocks, and the molecular formula is C10H9NO2, Quality Control of 103261-68-3.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei published the artcile< An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived N-Boc ketimines>, Formula: C9H6ClNO, the main research area is isoxazole amino oxindole preparation enantioselective chiral phosphoric acid catalyst; aminoisoxazole isatin boc ketimine aza Friedel Crafts.

By employing a chiral phosphoric acid as a catalyst, an enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived N-Boc ketimines was realized. The reaction provided a wide variety of novel 3-isoxazole 3-amino-oxindoles I (R1 = C6H5, 4-OMeC6H4, 4-FC6H4, etc.; R2 = Me, Et, Bn, Allyl; R3 = H, 5-Me, 5-Cl, etc.; R4 = H, Me, Et, Bn, Boc) with good yields (up to 99%) and moderate to good enantioselectivities (up to 99%). The absolute configuration of one product was assigned by X-ray crystal structural anal. and a plausible reaction mechanism was proposed. In addition, a scale-up reaction was performed successfully. Finally, one product was subjected to Suzuki-Miyaura coupling with phenylboronic acid to afford the product in a moderate yield without erosion of the enantioselectivity.

Organic & Biomolecular Chemistry published new progress about Enantioselective synthesis. 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Formula: C9H6ClNO.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Sanchez-Viesca, F.; Gomez, Maria R.; Berros, Martha published the artcile< An anomalous Houben-Hoesch reaction and some applications in arylation reactions>, Recommanded Product: 2,2-Diethoxyacetonitrile, the main research area is anomalous Houben Hoesch reaction methoxybenzene arylation application.

α,α-Dichloro-2,4,5-trimethoxyacetophenone (1a), prepared via a Houben-Hoesch reaction between 1,2,4-trimethoxybenzene and dichloroacetonitrile, was very unreactive, failing to react with NaOAc, methoxide and ethoxide. Attempted preparation of α,α-diethoxy-2,4,5-trimethoxyacetophenone by Houben-Hoesch reaction of 1,2,4-trimethoxybenzene with diethoxyacetonitrile gave tris(2,4,5-trimethoxyphenyl)methane instead. Reaction of 1,2,4-trimethoxybenzene with diethoxyacetonitrile under Houben-Hoesch conditions gave 2,2-bis(2,4,5-trimethoxyphenyl)acetamide. 2,2-Dichloro-1-methoxy-1-(2,4,5-trimethoxyphenyl)ethane (preparation described) could be arylated by 1,2,4-trimethoxybenzene and 2,4-dimethoxychlorobenzene to give 2,2-dichloro-1,1-bis(2,4,5-trimethoxyphenyl)ethane and 2,2-dichloro-1-(5-chloro-2,4-dimethoxyphenyl)-1-(2,4,5-trimethoxyphenyl)ethane. Reactions of 1,2,4-trimethoxybenzene with RCH2CN (R = EtO, MeO) under Houben-Hoesch conditions gave 2,4,5-trimethoxyphenacyl chloride (unexpectedly) and α-methoxy-2,4,5-trimethoxyacetophenone, resp.

Organic Preparations and Procedures International published new progress about Hoesch reaction. 6136-93-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C6H11NO2, Recommanded Product: 2,2-Diethoxyacetonitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts