312936-89-3

Basic information

• Product Name: 2-METHOXY-4-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID
• Synonyms: 2-METHOXY-4-(TRIFLUOROMETHYL)BENZENEBORONIC ACID;2-METHOXY-4-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID;2-Methoxy-4-(trifluoromethyl)phenylboronic acid, >=97%
• CAS NO: 312936-89-3
• Molecular Formula: C₈H₈BF₃O₃
• Molecular Weight: 219.95
• Mol File: 312936-89-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 309.9 °C at 760 mmHg
• Flash Point: 141.2 °C
• Appearance: /
• Density: 1.36
• Vapor Pressure: 0.000267mmHg at 25°C
• Refractive Index: 1.464
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 7.84±0.58(Predicted)
• CAS DataBase Reference: 2-METHOXY-4-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHOXY-4-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID(312936-89-3)
• EPA Substance Registry System: 2-METHOXY-4-(TRIFLUOROMETHYL)-PHENYLBORONIC ACID(312936-89-3)

Safety Data

• Hazardous Substances Data: 312936-89-3(Hazardous Substances Data)

Usage

General Description

2-Methoxy-4-(trifluoromethyl)-phenylboronic Acid is a chemical compound commonly used in organic chemistry, particularly in chemical reactions that involve the formation of carbon-carbon bonds. It is a phenylboronic acid, which are organoboronic acids consisting of a phenyl group and boronic acid. Its molecular formula is C9H8BF3O3. The boronic acid group makes it an important compound in Suzuki coupling reactions, a type of palladium-catalyzed cross coupling reaction. This chemical is generally available in the form of white to beige crystalline powder and is often stored at room temperature. It should be handled with care due to its potential reactive nature.

InChI:InChI=1/C8H8BF3O3/c1-15-7-4-5(8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3

Upstream product

• 5419-55-6 Triisopropyl borate 
• 454-90-0 3-(trifluoromethyl)anisole 

Downstream Products

• 1004619-04-8 4-(2-methoxy-4-(trifluoromethyl)phenyl)-3-methylpyridine hydrochloride 
• 1004852-71-4 4-(2-methoxy-4-(trifluoromethyl)phenyl)piperidine 

Relevant articles and documents

1-[(1-methyl-1 H-imidazol-2-yl)methyl]-4-phenylpiperidines as mGluR2 positive allosteric modulators for the treatment of psychosis

A novel series of mGluR2 positive allosteric modulators (PAMs), 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-phenylpiperidines, is herein disclosed. Structure-activity relationship studies led to potent, selective mGluR2 PAMs with excellent pharmacokinetic profiles. A representative lead compound (+)-17e demonstrated dose-dependent inhibition of methamphetamine-induced hyperactivity and mescaline-induced scratching in mice, providing support for potential efficacy in treating psychosis.

AZABENZIMIDAZOLYL COMPOUNDS

Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I), as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.