2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-methyl-5-phenyl-, (S)-

Base Information

• Chemical Name: 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-methyl-5-phenyl-, (S)-
• CAS No.: 39200-48-1
• Molecular Formula: C16H13ClN2O
• Molecular Weight: 284.745
• DSSTox Substance ID: DTXSID20192451
• Nikkaji Number: J364.126K
• Mol file: 39200-48-1.mol

Synonyms:2H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-3-METHYL-5-PHENYL-, (S)-;(S)-1,3-Dihydro-7-chloro-3-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one;39200-48-1;DTXSID20192451;LS-34246;(S)-7-Chloro-3-methyl-5-phenyl-1H-1,4-benzodiazepine-2(3H)-one;7-chloro-1,3-dihydro-3(s)-methyl-5-phenyl-2h-1,4-benzodiazepin-2-one

Chemical Property of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-methyl-5-phenyl-, (S)-

Chemical Property:

• Vapor Pressure: 2.02E-08mmHg at 25°C
• Boiling Point: 453.7°Cat760mmHg
• Flash Point: 228.2°C
• Density: 1.29g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 284.0716407
• Heavy Atom Count: 20
• Complexity: 403

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
• Isomeric SMILES: C[C@H]1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Technology Process of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-methyl-5-phenyl-, (S)-

There total 5 articles about 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-methyl-5-phenyl-, (S)- 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:

(S)-2-Amino-N-(2-benzoyl-4-chloro-phenyl)-propionamide (736080-92-5) → (S)-7-chloro-1,3-dihydro-3-methyl-5-phenyl-2H-1,4-benzodiazepine-2-one (39200-48-1)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 10h; pH=8.5;

DOI:10.1021/ja9926313

Reference yield:

5-chloro-2-aminobenzophenone (719-59-5) → (S)-7-chloro-1,3-dihydro-3-methyl-5-phenyl-2H-1,4-benzodiazepine-2-one (39200-48-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 82 percent / DCC / CH₂Cl₂ / 8 h / 20 °C

2: HCl(gas) / CHCl₃ / 20 °C

3: aq. NaOH / H₂O; methanol / 10 h / 20 °C / pH 8.5

With hydrogenchloride; sodium hydroxide; dicyclohexyl-carbodiimide; In methanol; dichloromethane; chloroform; water; 1: Condensation / 2: deprotection / 3: Cyclization;

DOI:10.1021/ja9926313

Reference yield:

2-N-(N'-Boc-L-alanyl)amino-5-chlorobenzophenone (39200-50-5) → (S)-7-chloro-1,3-dihydro-3-methyl-5-phenyl-2H-1,4-benzodiazepine-2-one (39200-48-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl(gas) / CHCl₃ / 20 °C

2: aq. NaOH / H₂O; methanol / 10 h / 20 °C / pH 8.5

With hydrogenchloride; sodium hydroxide; In methanol; chloroform; water; 1: deprotection / 2: Cyclization;

DOI:10.1021/ja9926313

upstream raw materials:

(S)-2-Amino-N-(2-benzoyl-4-chloro-phenyl)-propionamide

L-N-Boc-Ala

5-chloro-2-aminobenzophenone

2-N-(N'-Boc-L-alanyl)amino-5-chlorobenzophenone

Downstream raw materials:

7-chloro-1-isopropyl-3-methyl-3-(4-methyl-benzyl)-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

3-benzyl-7-chloro-1-isopropyl-3-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one