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

Base Information

• Chemical Name: 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
• CAS No.: 2898-08-0
• Molecular Formula: C15H12 N2 O
• Molecular Weight: 236.273
• Hs Code.: 29339900
• European Community (EC) Number: 220-781-3
• NSC Number: 656624
• UNII: 4JHQ7M3460
• DSSTox Substance ID: DTXSID30183178
• Nikkaji Number: J306.823D
• ChEMBL ID: CHEMBL13458
• Mol file: 2898-08-0.mol

Synonyms:2898-08-0;1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one;5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one;1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one;5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one;5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;5-Phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one;5-Phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-phenyl-;Ro-05-2921;CHEMBL13458;4JHQ7M3460;EINECS 220-781-3;NSC-656624;(Z)-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one;5-PHENYL-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE;NSC656624;CLOZAPINEN-OXIDE;Maybridge1_006686;Oprea1_710885;MLS001182241;UNII-4JHQ7M3460;2,3-Dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine;SCHEMBL1365706;HMS560H20;DTXSID30183178;HMS2851L21;CS-D0048;BDBM50083899;MFCD00277779;AKOS000638525;CCG-244429;MS-3038;Ro-052921;Ro-5-2921;SS-4716;NCGC00246645-01;SMR000567904;FT-0645216;2,3Dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one;SR-01000499023;2,3-Dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one;2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine;J-517912;SR-01000499023-1;5-Phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one #;Z56891915

Chemical Property of 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one

Chemical Property:

• Vapor Pressure: 2.08E-07mmHg at 25°C
• Melting Point: 170-180 °C
• Boiling Point: 424.4 °C at 760 mmHg
• PKA: pKa 4.17/12.49(2% aq. EtOH,t =25) (Uncertain)
• Flash Point: 210.5 °C
• PSA: 41.46000
• Density: 1.21 g/cm³
• LogP: 2.04970
• Storage Temp.: Store at -15°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.094963011
• Heavy Atom Count: 18
• Complexity: 344

Purity/Quality:

97% ^*data from raw suppliers

5-Phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3

Technology Process of 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one

There total 22 articles about 1,3-Dihydro-5-phenyl-2H-1,4-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: 95.0%

N-(2-benzoylphenyl)-2-chloroacetamide (23207-75-2) → 2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (2898-08-0)

Guidance literature:

With hexamethylenetetramine; ammonium acetate; In ethanol; for 6h; Reflux;

DOI:10.1002/psc.2771

Reference yield: 90.0%

2'-benzoyl-2-bromo-acetanilide (14439-71-5) → 2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (2898-08-0)

Guidance literature:

With ammonia; In methanol; Heating;

Reference yield: 89.0%

1,3-oxazolidine-2,5-dione (2185-00-4) + (2-aminophenyl)(phenyl)methanone (2835-77-0) → 2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one (2898-08-0)

Guidance literature:

1,3-oxazolidine-2,5-dione; (2-aminophenyl)(phenyl)methanone; With trifluoroacetic acid; In toluene; at 60 ℃; for 0.5h; Sealed tube;

With triethylamine; at 80 ℃; for 0.5h; Sealed tube;

DOI:10.1021/acs.orglett.7b00417

upstream raw materials:

2'-benzoyl-2-bromo-acetanilide

hexamethylenetetramine

N-(2-benzoylphenyl)-2-chloroacetamide

methoxycarbonylmethylamine

Downstream raw materials:

1-methyl-2,3-dihydro-2-oxo-5-phenyl-1,4-benzodiazepine

6-Phenyl-4H-2,5,10b-triaza-benzo[e]azulene-3-carboxylic acid ethyl ester

1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione

1,3-dihydro-1-(2'-methylphenacyl)-5-phenyl-2H-1,4-benzodiazepin-2-one