214210-21-6

Basic information

• Product Name: 3-Cyano-4-fluorobenzeneboronic acid
• Synonyms: 5-Borono-2-fluorobenzonitrile;3-CYANO-4-FLUOROPHENYLBORONIC ACID;(3-CYANO-4-FLUOROBENZENE)BORONIC ACID;3-Cyano-4-fluorobenzeneboronic acid 97%;3-Cyano-4-fluorobenzeneboronicacid97%;2-Fluoro-5-boronobenzonitrile;3-Cyano-4-fluorophenylboronic acid ,97%;3-Cyano-4-fluorophenylboronic Acid (contains varying aMounts of Anhydride)
• CAS NO: 214210-21-6
• Molecular Formula: C₇H₅BFNO₂
• Molecular Weight: 164.93
• Product Categories: blocks;BoronicAcids;Carboxes;FluoroCompounds;Boronic Acid;Aryl;Organoborons
• Mol File: 214210-21-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: >300
• Boiling Point: 333.2 °C at 760 mmHg
• Flash Point: 155.3 °C
• Appearance: /
• Density: 1.35 g/cm³
• Vapor Pressure: 5.52E-05mmHg at 25°C
• Refractive Index: 1.535
• Storage Temp.: Keep Cold
• Solubility: slightly sol. in Methanol
• PKA: 7.26±0.10(Predicted)
• CAS DataBase Reference: 3-Cyano-4-fluorobenzeneboronic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Cyano-4-fluorobenzeneboronic acid(214210-21-6)
• EPA Substance Registry System: 3-Cyano-4-fluorobenzeneboronic acid(214210-21-6)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-41-37/38
• Safety Statements: 26-36/37/39-39
• RIDADR: 3439
• HazardClass: IRRITANT
• Hazardous Substances Data: 214210-21-6(Hazardous Substances Data)

Usage

Description

3-Cyano-4-fluorobenzeneboronic acid is an organic compound with the chemical formula C7H4BFNO2. It is an off-white powder and is known for its utility in chemical synthesis, particularly in cross-coupling reactions.

Uses

Used in Pharmaceutical Industry:
3-Cyano-4-fluorobenzeneboronic acid is used as a reagent for the chemoselective Suzuki-Miyaura cross-coupling via kinetic transmetalation. This reaction is a widely employed method in the synthesis of various pharmaceutical compounds, as it allows for the formation of carbon-carbon bonds, which are crucial in the construction of complex molecular structures.
Used in Chemical Synthesis:
In the field of chemical synthesis, 3-Cyano-4-fluorobenzeneboronic acid serves as a valuable building block for the creation of a range of organic molecules. Its unique combination of functional groups, including the cyano and fluoro substituents, enables it to participate in various chemical reactions, making it a versatile component in the synthesis of specialty chemicals and advanced materials.
Used in Research and Development:
3-Cyano-4-fluorobenzeneboronic acid is also utilized in research and development settings, where it can be employed to explore new reaction pathways, develop novel synthetic methods, and investigate the properties of newly synthesized compounds. Its use in this context contributes to the advancement of chemical knowledge and the discovery of new applications in various industries.

InChI:InChI=1/C7H5BFNO2/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,11-12H

Upstream product

• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 
• 73183-34-3 bis(pinacol)diborane 
• 5419-55-6 Triisopropyl borate 
• 105942-08-3 4-bromo-6-fluorobenzonitrile 

Downstream Products

• 856168-80-4 methyl (R)-(5-(5-(3-cyano-4-fluorophenyl)thiazol-2-yl)-4-methyl-indan-1-yl)acetate 
• 856168-81-5 ethyl (R)-(5-(5-(3-cyano-4-fluorophenyl)thiazol-2-yl)-4-methyl-indan-1-yl)acetate 
• 871709-97-6 5-(3-cyano-4-fluorophenyl)-furane-2-carboxylic acid 
• 876918-48-8 2-(3-cyano-4-fluorophenyl)isonicotinic acid methyl ester 
• 943247-72-1 2-fluoro-5-isopropenylbenzonitrile 
• 1086424-41-0 5-(8'-chloro-2'-oxo-2',3'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'-yl)-2-fluorobenzonitrile 
• 1075699-17-0 2-fluoro-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzonitrile formate 
• 945468-34-8 tert-butyl 5-(3-cyano-4-fluorophenyl)-furan-2-carboxylate 
• 945487-70-7 N'-(2,5-dichlorophenyl)-5-(3-cyano-4-fluorophenyl)-furan-2-carbohydrazide 
• 1108745-25-0 5-(3,5-difluorobenzyl)-2-fluorobenzonitrile 
• 1007206-68-9 2-fluoro-5-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-benzonitrile 
• 1108745-27-2 2-fluoro-5-(5-fluoro-2-methyl-benzyl)-benzonitrile 
• 1108745-29-4 2-fluoro-5-pyridin-3-ylmethyl-benzonitrile 
• 1108745-28-3 2-fluoro-5-(3-fluoro-benzyl)-benzonitrile 

Relevant articles and documents

HETEROCYCLIC CARBONYL COMPOUNDS

The invention relates to novel heterocyclic compounds of formula (I) wherein R1, D, W, T and T' have the meaning cited in the claim 1. Said compounds are SGK-inhibitors and can be used in the treatment of SGK-related diseases and disorders such as diabetes, obesity, metabolic syndrome (dyslipidemia), systemic and pulmonal hypertension, cardiovascular diseases and renal diseases, and generally for any kind of fibroses and inflammatory processes.

Guanidine mimics as factor Xa inhibitors

The present application describes nitrogen containing heteroaromatics and derivatives thereof of formula I: or pharmaceutically acceptable salt forms thereof, wherein rings D—E represent guanidine mimics, which are useful as inhibitors of factor Xa.