5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one

Base Information

• Chemical Name: 5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one
• CAS No.: 66192-31-2
• Molecular Formula: C16H15NO
• Molecular Weight: 237.301
• DSSTox Substance ID: DTXSID50601162
• Nikkaji Number: J3.121.970A

Synonyms:5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one;66192-31-2;SCHEMBL9628109;DTXSID50601162;POCNBPQSYBGIQA-UHFFFAOYSA-N

Chemical Property of 5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 237.115364102
• Heavy Atom Count: 18
• Complexity: 296

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(C2=CC=CC=C2CNC1=O)C3=CC=CC=C3

Technology Process of 5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-one

There total 19 articles about 5-phenyl-1,2,4,5-tetrahydro-3H-2-benzazepin-3-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: 75.0%

(E)-3-(2-Cyano-phenyl)-3-phenyl-acrylic acid methyl ester (139437-27-7) → 5-phenyl-1,2,4,5-tetrahydro-benzo[c]azepin-3-one (66192-31-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; palladium on activated charcoal; In ethanol; 1) 50 deg C_. vent, 2) 68 deg C, 2 h;

DOI:10.1016/0040-4039(92)88040-C

Reference yield: 69.0%

trifluorormethanesulfonic acid (1493-13-6) + (E)-N-benzylcinnamamide (57152-94-0,104047-17-8,5100-00-5) → 5-phenyl-1,2,4,5-tetrahydro-benzo[c]azepin-3-one (66192-31-2) + cinnamamide (621-79-4)

Guidance literature:

In chloroform; for 3h; Reflux;

DOI:10.1016/j.tet.2012.11.035

Reference yield: 69.0%

(E)-N-benzylcinnamamide (57152-94-0,104047-17-8,5100-00-5) → 5-phenyl-1,2,4,5-tetrahydro-benzo[c]azepin-3-one (66192-31-2)

Guidance literature:

With trifluorormethanesulfonic acid; In chloroform; for 3h; Reflux;

DOI:10.1016/j.tet.2013.07.075

upstream raw materials:

(E)-3-(2-Cyano-phenyl)-3-phenyl-acrylic acid methyl ester

iodobenzene

o-cyanobromobenzene

2'-cyanocinnamic acid methyl ester

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