873566-75-7

Basic information

• Product Name: 3-AMINO-4-FLUOROPHENYLBORONIC ACID
• Synonyms: 3-Amino-4-fluorobenzeneboronic acid;5-Borono-2-fluoroaniline;Boronicacid, (3-amino-4-fluorophenyl)- (9CI);(3-aMino-4-fluorophenyl)boronic acid hydrochloride
• CAS NO: 873566-75-7
• Molecular Formula: C₆H₇BFNO₂
• Molecular Weight: 154.94
• Mol File: 873566-75-7.mol

Chemical Properties

• Boiling Point: 345.974 °C at 760 mmHg
• Flash Point: 163.04 °C
• Appearance: White to off-white/Solid
• Density: 1.34
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.555
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 8.59±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-4-FLUOROPHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-4-FLUOROPHENYLBORONIC ACID(873566-75-7)
• EPA Substance Registry System: 3-AMINO-4-FLUOROPHENYLBORONIC ACID(873566-75-7)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• Hazardous Substances Data: 873566-75-7(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-Amino-4-fluorophenylboronic acid is used as a reactant for the formation of carbon-carbon and carbon-nitrogen bonds, playing a crucial role in the synthesis of various organic compounds.
Used in Pharmaceutical Production:
3-Amino-4-fluorophenylboronic acid serves as an intermediate in the production of pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Production:
3-Amino-4-fluorophenylboronic acid is also utilized as an intermediate in the synthesis of agrochemicals, aiding in the creation of effective products for agriculture.
Used in Medicinal Chemistry Research:
3-Amino-4-fluorophenylboronic acid is studied for its potential anti-cancer and anti-diabetic properties, making it a compound of interest for researchers in the field of medicine.
Used in Fine Chemicals Production:
This versatile chemical compound is also used in the production of other fine chemicals, further highlighting its importance in the chemical industry.

InChI:InChI=1/C6H7BFNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2

Upstream product

• 1493-27-2 ortho-nitrofluorobenzene 
• 13675-18-8 tetrahydroxydiboron 
• 2924-09-6 5-bromo-2-fluoroaniline 
• 460-00-4 1-Bromo-4-fluorobenzene 
• 352530-22-4 (4-fluoro-3-nitro-phenyl)boronic acid 

Downstream Products

• 1009303-57-4 3-(methanesulfonylamino)-4-fluoro-phenylboronic acid 
• 943917-81-5 (4S,5R)-3-{[3'-amino-4'-fluoro-4-(trifluoromethyl)biphenyl-2-yl]methyl}-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one 
• 1013403-78-5 3-[(3R)-N-tert-butoxycarbonylpiperidin-3-ylcarbonylamino]-4-fluorophenylboronic acid 
• 1013403-36-5 2-(2-difluoromethylbenzimidazol-1-yl)-4-{4-fluoro-3-[(3R)-piperidin-3-ylcarbonylamino]phenyl}-6-morpholinopyrimidine 
• 943917-82-6 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-3'-iodo-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazolidin-2-one 
• 1374132-74-7 5'-[4-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-2'-fluoro-2-methylbiphenyl-4-carboxylic acid 
• 1374135-38-2 5'-[4-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-2-(methylsulfonyl)pyrimidin-5-yl]-2'-fluoro-2-methylbiphenyl-4-carboxylic acid 
• 1374135-33-7 (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-{[5-(4-fluoro-3-iodophenyl)-2-(methylsulfanyl)pyrimidin-4-yl]methyl}-4-methyl-1,3-oxazolidin-2-one 

Relevant articles and documents

Synthesis of 3-amino-4-fluorophenylboronic acid method

The invention belongs to the field of synthesis of organic chemicals, and relates to a method for synthesizing 3-amino-4-fluorophenylboronic acid, which comprises the following steps: 1. preparing fluorobromobenzene into a Grignard reagent, and reacting with trimethyl borate to obtain an intermediate fluorophenylboronic acid A; 2. reacting the intermediate A with fuming nitric acid to generate an intermediate 3-nitro-4-fluorophenylboronic acid B; and 3. hydrogenating the intermediate B by using a palladium-on-carbon catalyst to generate the product 3-amino-4-fluorophenylboronic acid C. The synthesis method has the advantages of accessible raw materials and lower cost, is simple to operate, and provides a proper way for preparing 3-amino-4-fluorophenylboronic acid.

A 3-amino-4-fluorophenylboronic acid synthesis method

The invention discloses a synthetic method for 3-amino-4-fluorophenylboronic acid. The method includes the steps of conducting bromination on o-fluoronitrobenzene, conducting reduction to generate 5-bromo-2-fluoroanil, making 5-bromo-2-fluoroanil and tetrahydroxydiboron react in a coupled mode to generate the product, namely, 3-amino-4-fluorophenylboronic acid. According to the method, raw materials can be easily obtained, and operation is easy and convenient. The method is an appropriate route for preparing 3-amino-4-fluorophenylboronic acid.