(S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Base Information

Chemical Name:(S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CAS No.:824430-72-0
Molecular Formula:C₁₁H₁₃Cl₂N
Molecular Weight:230.137
Hs Code.:
ChEMBL ID:CHEMBL181076
DSSTox Substance ID:DTXSID80469373
Pharos Ligand ID:BD72WL92WLTT
Wikidata:Q82297055
Mol file:824430-72-0.mol

Synonyms:CHEMBL181076;824430-72-0;(S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine;SCHEMBL3283316;DTXSID80469373;VUYGFWKOVMRUIC-SSDOTTSWSA-N;BDBM50161636;(1S)-8,9-dichloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine;(5S)-6,7-dichloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;(S)-8,9-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Suppliers and Price of (S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Chemical Property:

PSA：0.00000
LogP:0.00000
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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CNCCC2=C1C(=C(C=C2)Cl)Cl
Isomeric SMILES:C[C@@H]1CNCCC2=C1C(=C(C=C2)Cl)Cl

Technology Process of (S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine

There total 20 articles about (S)-8,9-Dichloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine 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