1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-

Base Information

Chemical Name:1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
CAS No.:131615-57-1
Molecular Formula:C17H17ClINO
Molecular Weight:413.686
Hs Code.:
UNII:NTD2C1OH2F
ChEMBL ID:CHEMBL352792
Nikkaji Number:J384.531A

Synonyms:Tisch, (S)-;NTD2C1OH2F;Tisch, S-(-)-;1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-;131615-57-1;UNII-NTD2C1OH2F;CHEMBL352792

Suppliers and Price of 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-

Supply Marketing:

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

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Chemical Property of 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:413.00434
Heavy Atom Count:21
Complexity:356

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1CCC2=CC(=C(C=C2C(C1)C3=CC(=CC=C3)I)O)Cl
Isomeric SMILES:CN1CCC2=CC(=C(C=C2[C@@H](C1)C3=CC(=CC=C3)I)O)Cl

Technology Process of 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-

There total 2 articles about 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)- 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: 64.0%

: 131567-16-3
(S)-(-)-7-chloro-8-methoxy-3-methyl-1-(3'-iodophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine

: 131615-57-1
S-(-)-7-chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: With boron tribromide; In dichloromethane; for 2h; Ambient temperature;
DOI:10.1021/jm00107a002

Reference yield:

: 131681-51-1
(S)-7-Chloro-8-methoxy-3-methyl-1-(3-tributylstannanyl-phenyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

: 131615-57-1
S-(-)-7-chloro-8-hydroxy-1-(3'-iodophenyl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / I₂ / CHCl₃ / Ambient temperature

2: 64 percent / BBr₃ / CH₂Cl₂ / 2 h / Ambient temperature

With iodine; boron tribromide; In dichloromethane; chloroform;
DOI:10.1021/jm00107a002