8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine

Base Information

• Chemical Name: 8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine
• CAS No.: 81078-37-7
• Molecular Formula: C17H13Cl2NO
• Molecular Weight: 318.202
• DSSTox Substance ID: DTXSID70533638
• Mol file: 81078-37-7.mol

Synonyms:8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine;81078-37-7;SCHEMBL10989912;DTXSID70533638

Chemical Property of 8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine

Chemical Property:

• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 317.0374194
• Heavy Atom Count: 21
• Complexity: 423

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1C=CC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl

Technology Process of 8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine

There total 7 articles about 8-Chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine 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: 22.0%

methanol (67-56-1) + 8-chloro-1-(2-chlorophenyl)-4,5-dibromo-4,5-dihydro-3H-2-benzazepine (101713-22-8) → 5-bromo-8-chloro-1-(2-chlorophenyl)-3H-2-benzazepine (81078-36-6) + 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine (81078-37-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 1.5h; Ambient temperature;

DOI:10.1021/jo00362a007

Reference yield:

8-chloro-4,5-dibromo-4,5-dihydro-1-(2-chlorophenyl)-3H-2-benzazepine → 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine (81078-37-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; methanol; Petroleum ether;

Reference yield:

8-chloro-1-(2-chlorophenyl)-5H-2-benzazepin-5-one (101713-42-2) → 8-chloro-1-(2-chlorophenyl)-3-methoxy-3H-2-benzazepine (81078-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 53 percent / LiAlH₄ / tetrahydrofuran / 0.5 h / -78 °C

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo00362a007

upstream raw materials:

methanol

8-chloro-1-(2-chlorophenyl)-4,5-dibromo-4,5-dihydro-3H-2-benzazepine

8-chloro-1-(2-chlorophenyl)-5H-2-benzazepin-5-ol

8-chloro-1-(2-chlorophenyl)-5H-2-benzazepin-5-one

Downstream raw materials:

8-chloro-1-(2-chlorophenyl)-4,5-dihydro-3-methoxy-3H-2-benzazepine