159589-71-6

Basic information

• Product Name: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid
• Synonyms: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid;2-(2-Methyl-1H-imidazol-1-yl)benzoic acid , Tech;1-(2-Carboxyphenyl)-2-methyl-1H-imidazole;Benzoic acid,2-(2-methyl-1H-imidazol-1-yl)-;2-(2-methylimidazol-1-yl)benzoic acid
• CAS NO: 159589-71-6
• Molecular Formula: C₁₁H₁₀N₂O₂
• Molecular Weight: 202.2093
• Mol File: 159589-71-6.mol

Chemical Properties

• Melting Point: 232.1 °C
• Boiling Point: 429.1 °C at 760 mmHg
• Flash Point: 213.3 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 3.99E-08mmHg at 25°C
• Refractive Index: 1.617
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.33±0.36(Predicted)
• CAS DataBase Reference: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid(159589-71-6)
• EPA Substance Registry System: 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid(159589-71-6)

Safety Data

• Hazard Codes: Harmful:
• Hazardous Substances Data: 159589-71-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-(2-Methyl-1H-imidazol-1-yl)benzoic acid is utilized as a key intermediate in the synthesis of drugs targeting the imidazoline receptor. Its presence in these drugs allows for modulation of the receptor's activity, which can have therapeutic effects on certain medical conditions.
Used in Treatment of Neurological Disorders:
In the medical field, 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid is studied for its potential role in treating neurological disorders. The imidazole ring may interact with specific receptors or pathways in the nervous system, offering a new avenue for therapeutic intervention.
Used in Treatment of Cardiovascular Diseases:
2-(2-Methyl-1H-imidazol-1-yl)benzoic acid is also being investigated for its possible applications in cardiovascular medicine. Its effects on imidazoline receptors could have implications for the regulation of blood pressure and other cardiovascular functions.
Used as a Building Block in Organic Synthesis:
Beyond its direct applications, 2-(2-Methyl-1H-imidazol-1-yl)benzoic acid serves as a valuable building block in the development of new organic molecules with potential biological activity. Its structural features make it a versatile component in the creation of novel compounds for research and drug development.

InChI:InChI=1/C11H10N2O2/c1-8-12-6-7-13(8)10-5-3-2-4-9(10)11(14)15/h2-7H,1H3,(H,14,15)

Upstream product

• 394-47-8 2-fluorobenzonitrile 
• 892502-27-1 2-(2-methyl-imidazol-1-yl)-benzonitrile 

Relevant articles and documents

Preparation of highly potent and selective non-peptide antagonists of the arginine vasopressin V1A receptor by introduction of a 2-ethyl-1H-1-imidazolyl group

To find a new series of arginine vasopressin (AVP) V1A receptor antagonists, the influence of the 2-phenyl group of 2-phenyl-4′-[(2,3,4,5- tetrahydro-1H-1-benzazepin-1-yl)carbonyl]benzanilide (7) was investigated. Replacement of the 2-phenyl group by a 2-ethyl-1H-imidazol-1-yl group was effective in yielding a V1A-selective compound. Moreover, this imidazolyl group was introduced in the same position in YM-35471 (6), and further studies of these compounds were performed. Consequently, we found that the (Z)-4′-({4,4-difluoro-5-[(N-cyclo-propylcarbamoyl) methylene]-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}carbonyl)-2-(2-ethyl-1H-1- imidazol-1-yl)benzanilide (9f) exhibited highly potent affinity and selectivity, and was the most potent antagonist for the V1A receptor among our compounds. The synthesis and pharmacological evaluation of these compounds are described in this paper