318237-73-9

Basic information

• Product Name: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
• Synonyms: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine;1,4,5,6-Tetrahydro-2-methyl-imidazo[4,5-d][1]benzazepine;2-methyl-1,4,5,6-tetrahydrobenzo[b]imidazo[4,5-d]azepine;Conivaptan hydrochkoride Impurity C;Conivaptan Hydrochloride impurity C;2-methyl-3,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine
• CAS NO: 318237-73-9
• Molecular Formula: C₁₂H₁₃N₃
• Molecular Weight: 199.25
• Product Categories: pharmaceutical intermediare
• Mol File: 318237-73-9.mol

Chemical Properties

• Melting Point: 178-180 ºC
• Boiling Point: 529.2 °C at 760 mmHg
• Flash Point: 273.8 °C
• Appearance: /
• Density: 1.188
• Vapor Pressure: 2.77E-11mmHg at 25°C
• Refractive Index: 1.622
• PKA: 14.52±0.20(Predicted)
• CAS DataBase Reference: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine(318237-73-9)
• EPA Substance Registry System: 2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine(318237-73-9)

Safety Data

• Hazardous Substances Data: 318237-73-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-Methyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine is used as an impurity in Conivaptan, which is a medication for the treatment of congestive heart failure. Its presence in Conivaptan may have implications for the drug's safety and efficacy, and efforts are made to minimize its levels during the manufacturing process.

InChI:InChI=1/C12H13N3/c1-8-14-11-6-7-13-10-5-3-2-4-9(10)12(11)15-8/h2-5,13H,6-7H2,1H3,(H,14,15)

Upstream product

• 50998-74-8 methyl N-tosylanthranilate 
• 68595-19-7 1-[(4-methylphenyl)sulfonyl]-5-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carbonitrile 
• 24310-36-9 1-tosyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one 
• 29489-04-1 4-bromo-1-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one 
• 717917-14-1 2-methyl-6-[(4-methylphenyl)sulfonyl]-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine 
• 877858-24-7 6-benzoyl-2-methyl-1,4,5,6-tetrahydro-1,3,6-triaza-benzo[e]azulene 
• 105895-93-0 methyl 2-{(3-cyanopropyl)[(4-methylphenyl)sulfonyl]amino}benzoate 
• 134-20-3 2-carbomethoxyaniline 

Downstream Products

• 168626-94-6 conivaptan hydrochloride 
• 195531-22-7 {4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl}amine 

Relevant articles and documents

VASOPRESSIN V1A ANTAGONISTS

The present invention concerns compounds inter alia according to general formula 1a. Compounds according to the invention are vasopressin V 1a receptor antagonists. Pharmaceutical compositions of the compounds are useful as treatment of dysmenorrhoea.

A scalable process for the synthesis of 2-methyl-1,4,5,6- tetrahydroimidazo[4,5-d][1]benzazepine monohydrate and 4-[(biphenyl-2- ylcarbonyl)amino]benzoic acid: Two new key intermediates for the synthesis of the AVP antagonist conivaptan hydrochloride

A process for the multikilogram synthesis of the dual vasopressin-receptor antagonist, conivaptan hydrochloride, has been developed. This method relies on the introduction of operationally simple chemistry during the final stages of the process when two k

A new synthetic route to YM087, an arginine vasopressin antagonist

A new synthesis of N-{4-[(2-methyl-4,5-dihydroimidazo[4,5-d][1]benzazepin-6(1H)-yl)carbonyl]phenyl} biphenyl-2-carboxamide monohydrochloride (1, YM087) via new imidazobenzazepine intermediates is described. This method remarkably improves the overall yiel