6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Base Information

Chemical Name:6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS No.:824430-71-9
Molecular Formula:C₁₁H₁₃Cl₂N
Molecular Weight:230.137
Hs Code.:
ChEMBL ID:CHEMBL178231
DSSTox Substance ID:DTXSID20466184
Pharos Ligand ID:BD7BWWZGKF67
Mol file:824430-71-9.mol

Synonyms:CHEMBL178231;824430-71-9;6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;SCHEMBL2437688;DTXSID20466184;(1R,S)-8,9-dichloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine;BDBM50161629;L023574;8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Suppliers and Price of 6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Chemical Property:

PSA：12.03000
LogP:3.57140
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:229.0425048
Heavy Atom Count:14
Complexity:198

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:CC1CNCCC2=C1C(=C(C=C2)Cl)Cl

Technology Process of 6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

There total 8 articles about 6,7-dichloro-5-methyl-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:

: 1-(8,9-dichloro-1-methyl-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one

: 824430-71-9,824430-72-0
(1R,S)-8,9-dichloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine

Guidance literature:: With methanol; water; sodium hydroxide; at 20 ℃; for 2h;

Reference yield:

: 616202-51-8
1-(8-chloro-1-methyl-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one

: 824430-71-9,824430-72-0
(1R,S)-8,9-dichloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine

: 7,8-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Guidance literature:: 1-(8-chloro-1-methyl-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one; With N-chloro-succinimide; In acetonitrile; at 70 ℃;

With sodium hydroxide; In methanol; at 20 ℃; Further stages.;
DOI:10.1021/jm0709034