956317-36-5

Basic information

• Product Name: 2-(2H-1,2,3-TRIAZOL-2-YL)-5-METHYLBENZOIC ACID
• Synonyms: 2-(2H-1,2,3-TRIAZOL-2-YL)-5-METHYLBENZOIC ACID;5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid;5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic acid (For suvorexant);Suvorexant Intermediate II;Benzoic acid, 5-methyl-2-(2H-1,2,3-triazol-2-yl)-;5-methyl-2-(triazol-2-yl)benzoic acid;5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid;EOS-61935
• CAS NO: 956317-36-5
• Molecular Formula: C₁₀H₉N₃O₂
• Molecular Weight: 203.19736
• Mol File: 956317-36-5.mol
• Article Data: 62

Chemical Properties

• Melting Point: 174-176℃
• Boiling Point: 413℃
• Flash Point: 204℃
• Appearance: /
• Density: 1.35
• Vapor Pressure: 0-0.001Pa at 20-70℃
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 3.00±0.36(Predicted)
• CAS DataBase Reference: 2-(2H-1,2,3-TRIAZOL-2-YL)-5-METHYLBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2H-1,2,3-TRIAZOL-2-YL)-5-METHYLBENZOIC ACID(956317-36-5)
• EPA Substance Registry System: 2-(2H-1,2,3-TRIAZOL-2-YL)-5-METHYLBENZOIC ACID(956317-36-5)

Safety Data

• Hazardous Substances Data: 956317-36-5(Hazardous Substances Data)

Upstream product

• 52548-14-8 2-iodoyl-5-methylbenzoic acid 
• 288-36-8 1 ,2,3-Triazole 
• 288-36-8 1,2,3-triazole 
• 6967-82-4 2-bromo-5-methylbenzoic acid 
• 103755-53-9 2-(4-methylphenyl)-2H-[1,2,3]-triazole 
• 106-38-7 para-bromotoluene 
• 79762-67-7 glyoxal-bis-p-tolylhydrazone 
• 124-38-9 carbon dioxide 
• 64113-84-4 2-fluoro-5-methylbenzonitrile 
• 1381980-75-1 2-(2-iodo-4-methylphenyl)-2H-[1,2,3]triazole 
• 103440-52-4 methyl 2-iodo-5-methylbenzoate 

Downstream Products

• 1001401-58-6 allyl 5-methyl-4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate 
• 1001401-68-8 tert-butyl 3-methyl-4-(5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl)-1,4-diazepane-1-carboxylate 
• 1030377-31-1 benzyl (5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)-benzoyl]-1,4-diazepane-1-carboxylate 
• 1104546-96-4 5-methyl-2-(2Η-1,2,3-triazol-2-yl)benzoyl chloride 
• 1088991-70-1 5-fluoro-2-(((3R,6R)-6-methyl-1-(5-methyl-2-(2H-1,2,3-triazol-2-yl)-benzoyl)-piperidin-3-yl)-methoxy)-pyridine 
• 1149352-48-6 tert-butyl 6,7-dimethyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepane-1-carboxylate 
• 1149352-54-4 2-{5,6-dimethyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-6-fluoroquinazoline 
• 1224433-87-7 {5-methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]pyrrolidin-3-yl}methanol 
• 1224373-97-0 3-[(4-fluoro-3-methylphenoxy)methyl]-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]azepane 
• 1224373-98-1 6-[(4-fluoro-3-methylphenoxy)methyl]-2-methyl-1-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]azepane 
• 1224374-11-1 6-[(4-fluoro-3-methylphenoxy)methyl]-3-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl] - 1 ,4-oxazepane 
• 1241052-33-4 C₂₅H₂₄FN₇O 
• 1001856-75-2 C₂₁H₂₇N₅O₃ 

Relevant articles and documents

Monoacylglycerol Lipase Modulators

Bridged compounds of Formula (I) and Formula (II), pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to major depressive disorder, treatment resistant depression, anxious depression, bipolar disorder), cancers and eye conditions. wherein R2, R3 R4, R5 and R6 are defined herein.

SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS

There is provided a compound of formula (I), wherein L1 to L3, R1 to R4, X, A and B have meanings given in the description, and pharmaceutically acceptable salts, solvates and prodrugs thereof, which compounds are useful as antagonists of the orexin-1 and orexin-2 receptors or as selective antagonists of the orexin-1 receptor, and thus, in particular, in the treatment or prevention of inter alia substance dependence, addiction, anxiety disorders, panic disorders, binge eating, compulsive disorders, impulse control disorders, cognitive impairment and Alzheimer's disease.

Oxadiazole Derivatives as Dual Orexin Receptor Antagonists: Synthesis, Structure–Activity Relationships, and Sleep-Promoting Properties in Rats

The orexin system plays an important role in the regulation of wakefulness. Suvorexant, a dual orexin receptor antagonist (DORA) is approved for the treatment of primary insomnia. Herein, we outline our optimization efforts toward a novel DORA. We started our investigation with rac-[3-(5-chloro-benzooxazol-2-ylamino)piperidin-1-yl]-(5-methyl-2-[1,2,3]triazol-2-ylphenyl)methanone (3), a structural hybrid of suvorexant and a piperidine-containing DORA. During the optimization, we resolved liabilities such as chemical instability, CYP3A4 inhibition, and low brain penetration potential. Furthermore, structural modification of the piperidine scaffold was essential to improve potency at the orexin 2 receptor. This work led to the identification of (5-methoxy-4-methyl-2-[1,2,3]triazol-2-ylphenyl)-{(S)-2-[5-(2-trifluoromethoxyphenyl)-[1,2,4]oxadiazol-3-yl]pyrrolidin-1-yl}methanone (51), a potent, brain-penetrating DORA with in vivo efficacy similar to that of suvorexant in rats.