(2-Oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate

Base Information

• Chemical Name: (2-Oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate
• CAS No.: 1760-44-7
• Molecular Formula: C₁₇H₁₄N₂O₃
• Molecular Weight: 294.31
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10349790
• ChEMBL ID: CHEMBL1393826
• Mol file: 1760-44-7.mol

Synonyms:1760-44-7;(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate;STK563490;ACETIC ACID 2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-3-YL ESTER;HMS654A17;ChemDiv1_023601;Oprea1_175351;MLS000036628;SCHEMBL8746544;CHEMBL1393826;DTXSID10349790;HMS2482N03;AKOS005489113;AKOS015965917;SMR000057991;SR-01000001510;SR-01000001510-2;2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl acetate;2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate;2-Oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl acetate;(3RS)-1,3-dihydro-3-acetoxy-5-phenyl-2H-1,4-benzodiazepine-2-one;ACETICACID2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-3-YLESTER

Chemical Property of (2-Oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate

Chemical Property:

• PSA: 67.76000
• LogP: 1.93890
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.10044231
• Heavy Atom Count: 22
• Complexity: 469

Purity/Quality:

99.90% ^*data from raw suppliers

ACETIC ACID-2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-3-YL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Technology Process of (2-Oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate

There total 4 articles about (2-Oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) acetate 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:

(2-aminophenyl)(phenyl)methanone (2835-77-0) → acetic acid 2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (1760-44-7,91402-89-0,91403-14-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: CH₂Cl₂; H₂O

1.2: NH₃

2.1: m-chloroperbenzoic acid / CH₂Cl₂ / 18 h

3.1: 3 h / 70 °C

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; water;

DOI:10.1021/jm051185t

Reference yield:

2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (2898-08-0) → acetic acid 2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (1760-44-7,91402-89-0,91403-14-4)

Guidance literature:

Multi-step reaction with 2 steps

1: m-chloroperbenzoic acid / CH₂Cl₂ / 18 h

2: 3 h / 70 °C

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1021/jm051185t

Reference yield:

acetic anhydride (108-24-7) + 4-oxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one (3967-09-7) → acetic acid 2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl ester (1760-44-7,91402-89-0,91403-14-4)

Guidance literature:

at 70 ℃; for 3h;

DOI:10.1021/jm051185t

upstream raw materials:

acetic anhydride

4-oxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one

(2-aminophenyl)(phenyl)methanone

2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one

Downstream raw materials:

3-hydroxy-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one

3-methylamino-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one