3967-01-9

Basic information

• Product Name: 4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
• Synonyms: IFLAB-BB F0266-2229;4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE;4-METHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE;2,3,4,5-tetrahydro-4-methyl-1h-5-benzodiazepin-2-one;4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, Tech.;2-Methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 4-Methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one;1H-1,5-BENZODIAZEPIN-2-ONE, 2,3,4,5-TETRAHYDRO-4-METHYL-;2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
• CAS NO: 3967-01-9
• Molecular Formula: C₁₀H₁₂N₂O
• Molecular Weight: 176.22
• Mol File: 3967-01-9.mol
• Article Data: 14

Chemical Properties

• Melting Point: 180 °C
• Boiling Point: 370.3°Cat760mmHg
• Flash Point: 167.9°C
• Appearance: /
• Density: 1.084g/cm³
• Vapor Pressure: 1.12E-05mmHg at 25°C
• Refractive Index: 1.526
• PKA: 14.83±0.40(Predicted)
• CAS DataBase Reference: 4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE(3967-01-9)
• EPA Substance Registry System: 4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE(3967-01-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 3967-01-9(Hazardous Substances Data)

Usage

General Description

4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE is a synthetic chemical compound that belongs to the benzodiazepine class of drugs. It is a derivative of the widely used anti-anxiety medication diazepam, also known as Valium. The compound is a central nervous system depressant and is primarily used for its sedative, hypnotic, and anxiolytic effects. It works by enhancing the activity of the neurotransmitter gamma-aminobutyric acid (GABA) in the brain, which inhibits certain brain signals and induces a calming and relaxing effect. Like other benzodiazepines, 4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE can be habit-forming and may lead to dependence and withdrawal symptoms if used for extended periods or in high doses. It is important to use this compound only under the guidance of a qualified medical professional and to follow all prescribed usage instructions carefully.

InChI:InChI=1/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1

Upstream product

• 6276-48-8 4-methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one 
• 1407835-19-1 ethyl 3-(2-aminophenylamino)butanoate 
• 1407835-16-8 ethyl 3-(2-nitrophenylamino)butanoate 
• 1493-27-2 ortho-nitrofluorobenzene 
• 674-82-8 4-methyleneoxetan-2-one 
• 95-54-5 1,2-diamino-benzene 
• 55889-32-2 (E)-1-(1H-benzo[d][1,2,3]triazol-1-yl)but-2-en-1-one 
• 107-93-7 (E)-but-2-enoic acid 
• 3724-65-0 2-butenoic acid 

Downstream Products

• 119483-61-3 5-Benzyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine-1-carbaldehyde 
• 74389-73-4 1,5-dimethyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine 
• 1407830-01-6 6-(4-chlorophenyl)-1,5-dimethyl-5,6-dihydro-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepine 
• 73416-91-8 5-(2-chloroacetyl)-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one 
• 98987-10-1 ethyl 2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylate 
• 1380571-19-6 C₁₇H₁₉N₅O 
• 710945-28-1 5-benzoyl-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 
• 136320-06-4 2,4-Dibromo-6-((9R,12R)-9-methyl-1,8-diaza-tricyclo[6.3.1.0^2,7]dodeca-2⁽⁷⁾,3,5-trien-12-yl)-phenol 
• 136320-05-3 (9R,12R)-9-Methyl-12-(3-nitro-phenyl)-1,8-diaza-tricyclo[6.3.1.0^2,7]dodeca-2⁽⁷⁾,3,5-triene 
• 136320-04-2 (9R,12R)-12-(3,4-Dichloro-phenyl)-9-methyl-1,8-diaza-tricyclo[6.3.1.0^2,7]dodeca-2⁽⁷⁾,3,5-triene 
• 144400-95-3 5-cinnamoyl-4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one 
• 144400-94-2 5-crotonoyl-4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one 
• 200264-16-0 5-Benzyl-4-methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one 
• 74389-71-2 4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepine-2(3H)-thione 

Relevant articles and documents

The synthesis of substituted 1,5-benzodiazepines

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Michael addition reaction catalyzed by imidazolium chloride to protect amino groups and construct medium ring heterocycles

An effective approach for amino protection and construction of a seven-membered ring has been developed. The method uses imidazolium chloride to carry out the Michael addition reaction at low temperatures and perform amino deprotection or construction of a seven-membered ring at high temperatures.

Synthesis of new chiral amidophosphite ligands and their application in hydrogenation of benzodiazepinones and enamides

New chiral amidophosphites were synthesized and tested in the Ir-catalyzed hydrogenation of 4-substituted 1,3-dihydro-2H-1,5-benzodiazepin-2-ones and Rh-catalyzed hydrogenation of dehydro amino acid derivatives. The triphenylphosphine additive can considerably increase the enantioselectivity of both processes.