N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide

Base Information

Chemical Name:N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide
CAS No.:70890-53-8
Molecular Formula:C17H15N3O2
Molecular Weight:293.3199
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60369564
ChEMBL ID:CHEMBL204738
Mol file:70890-53-8.mol

Synonyms:70890-53-8;N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide;CHEMBL204738;N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetamide;A-33903;1H-1,4-Benzodiazepine, acetamide deriv.;A 33903;Oprea1_541482;SCHEMBL642974;DTXSID60369564;BDBM50184953;1-PHENYL-5-MERCAPTO-TETRAZOLE;AKOS015965956;PD063410;Z3234971812;N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetamide;(Z)-N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetamide

Suppliers and Price of N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
N-(2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO(E)(1,4)DIAZEPIN-3-YL)-ACETAMIDE 95.00%
5MG
$ 498.53

Total 4 raw suppliers

Chemical Property of N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide

Chemical Property:

Melting Point:222-224 °C
Boiling Point:573.8±50.0 °C(Predicted)
PKA:11.78±0.70(Predicted)
PSA：77.54000
Density:1.28±0.1 g/cm3(Predicted)
LogP:2.29930
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:293.116426730
Heavy Atom Count:22
Complexity:469

Purity/Quality:

99% ^*data from raw suppliers

N-(2-OXO-5-PHENYL-2,3-DIHYDRO-1H-BENZO(E)(1,4)DIAZEPIN-3-YL)-ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Technology Process of N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide

There total 4 articles about N-(2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-acetamide 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: 66.0%

: 108-24-7
acetic anhydride

: 103343-47-1
3-amino-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one

: 70890-53-8
3-acetylamino-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: With pyridine; at 20 ℃; for 1.5h;
DOI:10.1021/jm051185t

Reference yield:

: 161365-74-8
benzyl N-[[(2-benzoylphenyl)carbamoyl](1H-1,2,3-benzotriazol-1-yl)methyl]carbamate

: 70890-53-8
3-acetylamino-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: NH₃ / methanol; tetrahydrofuran / 18 h

1.2: 6.94 g / NH₄OAc; AcOH / 18 h / 20 °C

2.1: 33 percent / HBr; AcOH / 0.5 h / 70 °C

3.1: 66 percent / pyridine / 1.5 h / 20 °C

With pyridine; ammonia; hydrogen bromide; acetic acid; In tetrahydrofuran; methanol;
DOI:10.1021/jm051185t

Reference yield:

: 108895-98-3
benzyl 2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamate

: 70890-53-8
3-acetylamino-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 33 percent / HBr; AcOH / 0.5 h / 70 °C

2: 66 percent / pyridine / 1.5 h / 20 °C

With pyridine; hydrogen bromide; acetic acid;
DOI:10.1021/jm051185t