2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine

Base Information

• Chemical Name: 2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine
• CAS No.: 111027-09-9
• Molecular Formula: C16H12Cl3N
• Molecular Weight: 324.637
• DSSTox Substance ID: DTXSID30553190
• Mol file: 111027-09-9.mol

Synonyms:111027-09-9;2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine;DTXSID30553190

Chemical Property of 2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine

Chemical Property:

• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 323.003532
• Heavy Atom Count: 20
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=NC2=CC=CC=C21)Cl)(C3=CC=C(C=C3)Cl)Cl

Technology Process of 2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine

There total 1 articles about 2,3-Dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-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: 89.0%

3-(4-chloro-phenyl)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one (3300-76-3) → 2,3-dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine (111027-09-9)

Guidance literature:

With phosphorus pentachloride; at 110 ℃; for 1h;

DOI:10.1248/cpb.36.2386

Reference yield: 91.0%

2,3-dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine (111027-09-9) → 3-chloro-3-(4-chlorophenyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one (118386-34-8)

Guidance literature:

In hydrogenchloride; acetone; for 2h; Ambient temperature;

DOI:10.1248/cpb.36.2386

Reference yield: 84.0%

1-(2-hydroxyethyl)piperazine (103-76-4) + 2,3-dichloro-3-(4-chlorophenyl)-4,5-dihydro-3H-1-benzazepine (111027-09-9) → 2-{4-[3-(4-Chloro-phenyl)-5H-benzo[b]azepin-2-yl]-piperazin-1-yl}-ethanol (111027-35-1)

Guidance literature:

at 130 ℃; for 1h;

DOI:10.1021/jm00396a016

upstream raw materials:

3-(4-chloro-phenyl)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Downstream raw materials:

3-(4-Chloro-phenyl)-2-piperidin-1-yl-5H-benzo[b]azepine

3-(4-Chloro-phenyl)-2-piperazin-1-yl-5H-benzo[b]azepine

3-(4-Chloro-phenyl)-2-(4-methyl-piperazin-1-yl)-5H-benzo[b]azepine

2-{4-[3-(4-Chloro-phenyl)-5H-benzo[b]azepin-2-yl]-piperazin-1-yl}-ethanol

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