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

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

Uses

Used in Pharmaceutical Industry:
4-Cyano-2-fluorobenzoic acid methyl ester is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its unique structure allows for the development of new drugs with specific therapeutic properties, contributing to advancements in medicine.
Used in Agrochemical Industry:
In the agrochemical sector, 4-Cyano-2-fluorobenzoic acid methyl ester is utilized as a precursor in the production of agrochemicals. Its involvement in the synthesis process aids in the creation of effective pesticides and other agricultural chemicals that enhance crop protection and yield.
Used in Research and Development:
4-Cyano-2-fluorobenzoic acid methyl ester is employed as a key component in research and development laboratories. Its versatility and reactivity make it an essential tool for scientists to explore new chemical reactions and synthesize novel compounds with potential applications in various industries.
Overall, 4-cyano-2-fluorobenzoic acid methyl ester is a significant compound with a wide range of applications across different industries, particularly in the development and synthesis of pharmaceuticals and agrochemicals, as well as in research and development initiatives.

Upstream product

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

Downstream Products

• 85070-58-2 methyl 2-fluoro-4-formylbenzoate 
• 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 
• 1289571-15-8 2-Fluoro-4-{[(imidazole-1-carbonyl)-amino]-methyl}-benzoic acid methyl ester 
• 1283718-57-9 methyl 2-fluoro-4-(hydroxymethyl)benzoate 
• 918967-55-2 methyl 4-[amino(hydroxyimino)methyl]-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 

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.

Late-stage Pd-catalyzed Cyanations of Aryl/Heteroaryl Halides in Aqueous Micellar Media

New technology is described that enables late stage ppm Pd-catalyzed cyanations of highly complex molecules, as well as a wide variety of aryl and heteroaryl halides possessing sensitive functional groups. These reactions are efficient in water containing nanomicelles, formed from a commercially available and inexpensive surfactant. The implications for advancing drug synthesis and discovery are apparent.

NOVEL AROMATIC COMPOUND AND USE THEREOF

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

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

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AMIDE DERIVATIVES AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS

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NOVEL COMPOUNDS

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