2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl-

Base Information

• Chemical Name: 2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl-
• CAS No.: 78662-07-4
• Molecular Formula: C17H16N2O
• Molecular Weight: 264.327
• DSSTox Substance ID: DTXSID70425064
• Mol file: 78662-07-4.mol

Synonyms:ChemDiv1_023593;78662-07-4;2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl-;Oprea1_113985;SCHEMBL9652546;1-ethyl-4-phenyl-1h-benzo[b][1,4]diazepin-2(3h)-one;HMS654A09;DTXSID70425064;AKOS003615578;SR-01000462176;1-Ethyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one;SR-01000462176-1

Chemical Property of 2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl-

Chemical Property:

• PSA: 32.67000
• LogP: 3.06460
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 264.126263138
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=O)CC(=NC2=CC=CC=C21)C3=CC=CC=C3

Technology Process of 2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl-

There total 2 articles about 2H-1,5-Benzodiazepin-2-one, 1-ethyl-1,3-dihydro-4-phenyl- 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: 91.0%

ethyl bromide (74-96-4) + 4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one (16439-95-5) → 1,3-dihydro-1-ethyl-4-phenyl-1,5-benzodiazepin-2-one (78662-07-4)

Guidance literature:

With potassium hydroxide; In acetone; for 3h; Temperature; Reagent/catalyst; Solvent; Reflux;

DOI:10.1007/s00044-016-1605-z

Reference yield: 50.0%

phenyl-3 N-ethyl N-(amino-2 phenyl)amino-5 isoxazole (115749-32-1) → 1,3-dihydro-1-ethyl-4-phenyl-1,5-benzodiazepin-2-one (78662-07-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

Reference yield: 90.0%

1,3-dihydro-1-ethyl-4-phenyl-1,5-benzodiazepin-2-one (78662-07-4) → ethyl-1 phenyl-4 benzodiazepine-1,5 thione-2 (115749-27-4)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; for 1h; Heating;

upstream raw materials:

phenyl-3 N-ethyl N-(amino-2 phenyl)amino-5 isoxazole

ethyl bromide

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

Downstream raw materials:

1,1-Dichloro-4-ethyl-1a-phenyl-1a,2-dihydro-1H,4H-4,8b-diaza-benzo[a]cyclopropa[c]cyclohepten-3-one

N-ethyl-benzene-1,2-diamine

3-phenyl-4H-isoxazol-5-one

ethyl-1 phenyl-4 benzodiazepine-1,5 thione-2