3,3-dichloro-4,5-dihydro-1H-1-benzazepin-2-one

Base Information

• Chemical Name: 3,3-dichloro-4,5-dihydro-1H-1-benzazepin-2-one
• CAS No.: 86499-22-1
• Molecular Formula: C10H9Cl2NO
• Molecular Weight: 230.094
• DSSTox Substance ID: DTXSID70428515
• Wikidata: Q82241348
• Mol file: 86499-22-1.mol

Synonyms:3,3-dichloro-4,5-dihydro-1H-1-benzazepin-2-one;86499-22-1;3,3-dichloro-2,3,4,5-tetrahydro-1H-[1]benzazepin-2-one;AN-651/40768841;SCHEMBL7426931;DTXSID70428515;LBLVWRMGTPVFLY-UHFFFAOYSA-N;3,3-dichloro-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

Chemical Property of 3,3-dichloro-4,5-dihydro-1H-1-benzazepin-2-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 229.0061193
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)NC2=CC=CC=C21)(Cl)Cl

Technology Process of 3,3-dichloro-4,5-dihydro-1H-1-benzazepin-2-one

There total 2 articles about 3,3-dichloro-4,5-dihydro-1H-1-benzazepin-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: 90.0%

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one (4424-80-0) → 3,3-dichloro-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one (86499-22-1)

Guidance literature:

With phosphorus pentachloride; In xylene; at 90 ℃; for 0.5h;

DOI:10.1021/jm00148a023

Reference yield:

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one (4424-80-0) + sodium carbonate (497-19-8) → 3,3-dichloro-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one (86499-22-1)

Guidance literature:

With phosphorus pentachloride; In 5,5-dimethyl-1,3-cyclohexadiene; ethanol;

Reference yield: 95.0%

3,3-dichloro-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one (86499-22-1) → 3-chloro-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one (86499-23-2)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In acetic acid; for 0.5h; under 760 Torr; Ambient temperature;

DOI:10.1021/jm00148a023

upstream raw materials:

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one

sodium carbonate

Downstream raw materials:

3-chloro-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one

benazepril hydrochloride

3-azido-2,3,4,5-tetrahydro-2-oxo-1 H-1-benzazepine

(3S)-1-(carboxymethyl)-<<(1S)-1-carboxy-3-phenylpropyl>amino>-2,3,4,5-tetrahydro-1H-<1>benzazepin-2-one