1149352-55-5

Basic information

• Product Name: 5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid
• Synonyms: 5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid;5-Methyl-2-[1,2,3]triazol-1-yl-benzoic acid;Suvorexant Impurity;5-methyl-2-(1H-1,2,3-triazol-1-yl);Benzoic acid, 5-methyl-2-(1H-1,2,3-triazol-1-yl)-
• CAS NO: 1149352-55-5
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.19736
• Mol File: 1149352-55-5.mol
• Article Data: 10

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid(1149352-55-5)
• EPA Substance Registry System: 5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid(1149352-55-5)

Safety Data

• Hazardous Substances Data: 1149352-55-5(Hazardous Substances Data)

Usage

General Description

5-Methyl-2-(1H-1,2,3-triazol-1-yl)benzoic acid is a chemical compound that falls under the category of organic compounds known as benzoic acids. These are compounds containing a benzoic acid or its derivative. Its molecular formula is C10H10N4O2. It is commonly used in the field of organic chemistry. As its name implies, it includes different functional groups in its structure such as the 5-methyl group, 2-(1H-1,2,3-triazol-1-yl) group, and a carboxylic acid group. Its exact physical properties, toxicity, and uses in industrial applications have not been extensively studied as of this time.

Upstream product

• 288-36-8 1,2,3-triazole 
• 6967-82-4 2-bromo-5-methylbenzoic acid 
• 52548-14-8 2-iodoyl-5-methylbenzoic acid 
• 288-36-8 1 ,2,3-Triazole 

Relevant articles and documents

Identification of ortho-Substituted Benzoic Acid/Ester Derivatives via the Gas-Phase Neighboring Group Participation Effect in (+)-ESI High Resolution Mass Spectrometry

Benzoic acid/ester/amide derivatives are common moieties in pharmaceutical compounds and present a challenge in positional isomer identification by traditional tandem mass spectrometric analysis. A method is presented for exploiting the gas-phase neighbor

2,5-DISUBSTITUTED THIOMORPHOLINE OREXIN RECEPTOR ANTAGONISTS

The present invention is directed to 2,5-disubstituted thiomorpholine amide compounds which are antagonists of orexin receptors. The present invention is also directed to uses of the 2,5-disubstituted thiomorpholine amide compounds described herein in the treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to pharmaceutical compositions comprising these compounds. The present invention is also directed to uses of these pharmaceutical compositions in the prevention or treatment of such diseases in which orexin receptors are involved.

The first large-scale synthesis of MK-4305: A dual orexin receptor antagonist for the treatment of sleep disorder

A new synthetic route to drug candidate 1, a potent and selective dual orexin antagonist for the treatment of sleep disorders, has been developed. The key acyclic precursor 10 was prepared in a one-step process in 75% isolated yield from commercially available starting materials using novel chemistry to synthesize 2-substituted benzoxazoles. A reductive amination was followed by a classical resolution to afford chiral diazepane (R)-11. Finally, coupling of (R)-11 with acid 5 furnished the desired drug candidate 1.