6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride

Base Information

• Chemical Name: 6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride
• CAS No.: 86129-54-6
• Molecular Formula: C₁₁H₁₄ClN*ClH
• Molecular Weight: 232.153
• UNII: YLW8APL9S8
• DSSTox Substance ID: DTXSID70436918
• ChEMBL ID: CHEMBL536803
• Mol file: 86129-54-6.mol

Synonyms:6-chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine;benalfocin;benalfocin hydrochloride;SK and F 86466;SK and F-86466;SKF 86466

Chemical Property of 6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00239mmHg at 25°C
• Boiling Point: 288.1oC at 760 mmHg
• Flash Point: 128oC
• PSA: 3.24000
• LogP: 3.11030
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 231.0581549
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

98%Min ^*data from raw suppliers

SKF-86466Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=C(CC1)C(=CC=C2)Cl.Cl
• Uses: SKF-86466 Hydrochloride is a potent and selective α2 antagonist at pre- and post-junctional α2-adrenoceptors.

Technology Process of 6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride

There total 3 articles about 6-chloro-3-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride 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:

N-methyl-N-[2-(2'-chlorophenyl)ethyl]-2-chloroethylamine hydrochloride (86129-53-5) → 6-chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine hydrochloride (86129-54-6)

Guidance literature:

With aluminium trichloride; ammonium chloride; at 175 - 180 ℃; for 4h;

DOI:10.1021/jm00363a001

Reference yield:

2-{[2-(2-Chloro-phenyl)-ethyl]-methyl-amino}-ethanol; hydrochloride (86129-52-4) → 6-chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine hydrochloride (86129-54-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / PCl₅ / CHCl₃

2: AlCl₃, NH₄Cl / 4 h / 175 - 180 °C

With aluminium trichloride; phosphorus pentachloride; ammonium chloride; In chloroform;

DOI:10.1021/jm00363a001

Reference yield:

→ 6-chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine hydrochloride (86129-54-6)

Guidance literature:

upstream raw materials:

N-methyl-N-[2-(2'-chlorophenyl)ethyl]-2-chloroethylamine hydrochloride

2-{[2-(2-Chloro-phenyl)-ethyl]-methyl-amino}-ethanol; hydrochloride

Refernces

• 1、 -. "Method for preparing 6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine". . . Retrieved 2008/06/13.
• 2、 DeMarinis, Robert M.,Hieble, J. Paul,Matthews, William D.. "6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine: A Potent and Selective Antagonist of α2-Adrenoceptors". . p. 1213 - 1214. Retrieved 2007/10/02.