175596-01-7

Basic information

• Product Name: 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER
• Synonyms: 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER
• CAS NO: 175596-01-7
• Molecular Formula: C₉H₆FNO₂
• Molecular Weight: 179.1478432
• Product Categories: Aromatic Esters
• Mol File: 175596-01-7.mol
• Article Data: 21

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER(175596-01-7)
• EPA Substance Registry System: 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER(175596-01-7)

Safety Data

• Hazardous Substances Data: 175596-01-7(Hazardous Substances Data)

Usage

General Description

4-Cyano-2-fluorobenzoic acid methyl ester is a chemical compound with the molecular formula C9H6FNO2. It is often used as an intermediate in the synthesis of pharmaceutical compounds and agrochemicals. 4-CYANO-2-FLUOROBENZOIC ACID METHYL ESTER has a white crystalline appearance and is soluble in organic solvents. It is important to handle this chemical with caution as it may be harmful if ingested or inhaled, and can cause skin and eye irritation. Its exact role and applications can vary depending on the specific industry, but it is commonly utilized in the field of research and development of new products. Overall, 4-cyano-2-fluorobenzoic acid methyl ester is a versatile compound with significant potential for various industrial applications.

Upstream product

• 557-21-1 dicyanozinc 
• 179232-29-2 methyl 4-bromo-2-fluorobenzoate 
• 1149388-52-2 methyl 5-amino-4-cyano-2-fluorobenzoate 
• 164149-28-4 4-cyano-2-fluorobenzoic acid 
• 74-88-4 methyl iodide 
• 77-78-1 dimethyl sulfate 
• 135205-66-2 N?cyanosuccinimide 
• 505083-04-5 3-fluoro-4-methoxycarbonylphenylboronic acid 
• 557-21-1 zinc(II) cyanide 
• 148893-72-5 4-chloro-2-fluorobenzoic acid methyl ester 
• 67-56-1 methanol 
• 18107-18-1 diazomethyl-trimethyl-silane 

Downstream Products

• 1149388-51-1 methyl 4-cyano-2-fluoro-5-nitrobenzoate 
• 1191070-13-9 4-(tert-butoxycarbonylaminomethyl)-2-fluorobenzoic acid methyl ester 
• 847730-68-1 methyl 4-aminomethyl-2-fluorobenzoate 
• 1072438-53-9 methyl 4-(aminomethyl)-2-fluorobenzoate hydrochloride 
• 105942-10-7 3-fluoro-4-formylbenzonitrile 
• 1141471-65-9 2-fluoro-4-[5-(2’-methoxy-2-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid 
• 1141471-81-9 2-fluoro-4-{5-[2’-methyl-2-(trifluoromethyl)biphenyl-4-yl]1,2,4-oxadiazol-3-yl}benzoic acid 
• 1141471-71-7 2-fluoro-4-[5-(2-methoxy-2’-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid 
• 1141471-62-6 4-[5-(2,2’-dimethylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl]-2-fluorobenzoic acid 
• 1141471-63-7 2-fluoro-4-[5-(2’-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid 
• 1141471-64-8 2-fluoro-4-[5-(2-methylbiphenyl-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid 
• 1141472-98-1 methyl 4-[(2-fluoro-4-{5-[2-(methoxymethyl)-2'-methylbiphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzoyl)amino]butanoate 
• 1141472-89-0 methyl N-(2-fluoro-4-{5-[2-(methoxymethyl)-2'-methylbiphenyl-4-yl]-1,2,4-oxadiazol-3-yl}benzoyl)-beta-alaninate 

Relevant articles and documents

Development and Molecular Understanding of a Pd-Catalyzed Cyanation of Aryl Boronic Acids Enabled by High-Throughput Experimentation and Data Analysis

A synthetic method for the palladium-catalyzed cyanation of aryl boronic acids using bench stable and non-toxic N-cyanosuccinimide has been developed. High-throughput experimentation facilitated the screen of 90 different ligands and the resultant statistical data analysis identified that ligand σ-donation, π-acidity and sterics are key drivers that govern yield. Categorization into three ligand groups – monophosphines, bisphosphines and miscellaneous – was performed before the analysis. For the monophosphines, the yield of the reaction increases for strong σ-donating, weak π-accepting ligands, with flexible pendant substituents. For the bisphosphines, the yield predominantly correlates with ligand lability. The applicability of the designed reaction to a wider substrate scope was investigated, showing good functional group tolerance in particular with boronic acids bearing electron-withdrawing substituents. This work outlines the development of a novel reaction, coupled with a fast and efficient workflow to gain understanding of the optimal ligand properties for the design of improved palladium cross-coupling catalysts.

SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINAMIDES AND USE THEREOF

1,6-Naphthyridine or 8-azaquinazoline derivatives (I) are new. 1,6-Naphthyridine or 8-azaquinazoline derivatives of formula (I) are new. D : N or CR 4>; R 4> : H, F, CF 3 or 1-4C alkyl; Ar : 5-R 5>-6-R 6>-2-methyl-4-oxo-4H-1-benzopyran-8-yl; 3-R 6>-4-R 8>-1-naphthyl optionally substituted with 1-3 of R 7>; 7-R 6>-8-R 8>-5-quinolinyl optionally substituted with 1-2 of R 7>; or 2-R 9>-3-R 10>-4-R 8>-5-R 6>-phenyl; R 5> : H, F, Cl, CN, NO 2, CF 3 or 1-4C alkyl; R 6> : H or F; R 7> : halo, 1-4C alkyl, CF 3, 1-4C alkoxy or OCF 3; R 8> : CN or NO 2; R 9> : H or halo; optionally fluorinated 1-4C alkyl, 1-4C alkoxy, 1-4C alkylthio of di(1-4C alkyl)amino; or phenyl optionally substituted with halo, 1-4C alkyl or CF 3; R 10> : H, halo or 1-4C alkyl; R 1> : optionally fluorinated 1-4C alkyl; R 2> : 1-6C alkyl optionally substituted with 3-7C cycloalkyl or F; or SO 2R 11>; R 11> : 1-6C alkyl, CF 3 or 3-7C cycloalkyl; or phenyl or heteroaryl optionally substituted with 1-2 of halo, CN, 1-4C alkyl, CF 3, 1-4C alkoxy and/or OCF 3; R 3> : H, F, CF 3 or 1-4C alkyl. An independent claim is also included for a process for preparing (I). [Image] ACTIVITY : Hypotensive; Cardiant; Hepatotropic; Nephrotropic; Cerebroprotective. MECHANISM OF ACTION : Mineralocorticoid receptor (MR) antagonist. 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide had an IC 50 of 35 nM when tested on cells expressing a GAL4-MR chimera.

BICYCLOHETEROARYL-HETEROARYL-BENZOIC ACID COMPOUNDS AS RETINOIC ACID RECEPTOR BETA (RARβ) AGONISTS

The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain bicycloheteroaryl-heteroaryl-benzoic acid compounds of the following formula (for convenience, collectively referred to herein as "BHBA compou