5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE

Base Information

• Chemical Name: 5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE
• CAS No.: 73416-91-8
• Molecular Formula: C₁₂H₁₃ClN₂O₂
• Molecular Weight: 252.7
• Mol file: 73416-91-8.mol

Synonyms:2H-1,5-Benzodiazepin-2-one,5-(chloroacetyl)-1,3,4,5-tetrahydro-4-methyl;5-(chloroacetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one;

Chemical Property of 5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE

Chemical Property:

• Vapor Pressure: 1.77E-10mmHg at 25°C
• Boiling Point: 509°Cat760mmHg
• Flash Point: 261.6°C
• PSA: 52.90000
• Density: 1.262g/cm³
• LogP: 2.13920

Purity/Quality:

99% ^*data from raw suppliers

5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE

There total 2 articles about 5-(CHLOROACETYL)-4-METHYL-1,3,4,5-TETRAHYDRO-2H-1,5-BENZODIAZEPIN-2-ONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one (3967-01-9) + chloroacetyl chloride (79-04-9) → 5-(2-chloroacetyl)-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one (73416-91-8)

Guidance literature:

With triethylamine; In benzene; for 6h; Reflux;

DOI:10.14233/ajchem.2020.22331

Reference yield:

1,2-diamino-benzene (95-54-5) → 5-(2-chloroacetyl)-4-methyl-1,3,4,5-tetrahydrobenzo[b][1,4]diazepin-2-one (73416-91-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / Heating

2: triethylamine / benzene / 6 h / Reflux

With hydrogenchloride; triethylamine; In benzene;

DOI:10.14233/ajchem.2020.22331

upstream raw materials:

1,2-diamino-benzene

4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one

chloroacetyl chloride