6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Base Information

• Chemical Name: 6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
• CAS No.: 67287-58-5
• Molecular Formula: C19H22ClNO2
• Molecular Weight: 331.842
• DSSTox Substance ID: DTXSID001140762
• Mol file: 67287-58-5.mol

Synonyms:6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;80751-60-6;NSC 379962;NSC379962;SCHEMBL7322313;DTXSID001140762;6-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1-phenyl-1H-3-benzazepine;6-chloro-7,8-dimethoxy-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine;67287-58-5

Chemical Property of 6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 331.1339066
• Heavy Atom Count: 23
• Complexity: 374

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC)Cl

Technology Process of 6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

There total 7 articles about 6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-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:

6-chloro-7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-38-1) → 6-chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-58-5)

Guidance literature:

With hydrogenchloride; sodium hydroxide; formaldehyd; In formic acid;

Reference yield:

6-bromo-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (104113-80-6) → 6-chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-58-5)

Guidance literature:

With n-butyllithium; hexachloroethane; Yield given. Multistep reaction; 1.) Et₂O, THF, -70 deg C, 10 min, 2.) Et₂O, THF, -70 deg C, 5 min;

DOI:10.1021/jm00116a004

Reference yield:

N-(2-Hydroxy-2-phenethyl)-N-<2-(2'-chlor-3',4'-dimethoxyphenyl)-ethyl>-amin (67287-37-0) → 6-chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (67287-58-5)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄, CF₃COOH / 2 h / Heating

2: aq. HCOOH / 4.5 h / Heating

With formic acid; sulfuric acid; trifluoroacetic acid;

DOI:10.1021/jm00346a005

upstream raw materials:

6-bromo-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

N-(2-Hydroxy-2-phenethyl)-N-<2-(2'-chlor-3',4'-dimethoxyphenyl)-ethyl>-amin

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenyl-2-hydroxyethylamine

7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Downstream raw materials:

6-chloro-7,8-dimethoxy-3-cyano-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

SKF 82957

SKF 82957 hydrobromide

6-chloro-3-methyl-7,8-diacetoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine