(1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol

Base Information

• Chemical Name: (1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol
• CAS No.: 81702-43-4
• Molecular Formula: C16H17NO2
• Molecular Weight: 255.31200
• UNII: G5IHG5BM57
• DSSTox Substance ID: DTXSID50424959
• Nikkaji Number: J419.738K
• Wikidata: Q27225256
• ChEMBL ID: CHEMBL284746
• Mol file: 81702-43-4.mol

Synonyms:81702-43-4;G5IHG5BM57;(S)-SKF-38393;(1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol;UNII-G5IHG5BM57;SKF-38393, (S)-;CHEMBL284746;(5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;(S)-SKF 38393;1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (1S)-;1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-, (S)-;Tocris-0922;Lopac-D-047;DTXSID50424959;CHEBI:131796;BDBM50004920;S(-)-SKF-38393;NCGC00015299-01;NCGC00015299-02;NCGC00024875-01;PD132208;Q27225256;(1S)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;S(-)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol

Chemical Property of (1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol

Chemical Property:

• Vapor Pressure: 3.27E-10mmHg at 25°C
• PSA: 52.49000
• LogP: 2.70420
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 255.125928785
• Heavy Atom Count: 19
• Complexity: 291

Purity/Quality:

98%Min ^*data from raw suppliers

S-(-)-SKF-38393 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC(C2=CC(=C(C=C21)O)O)C3=CC=CC=C3
• Isomeric SMILES: C1CNC[C@H](C2=CC(=C(C=C21)O)O)C3=CC=CC=C3
• Uses: S-(-)-SKF-38393 is a partial D1 receptor agonist.

Technology Process of (1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol

There total 1 articles about (1S)-2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol 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:

(S)-2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenyl-1H-3-benzazepine hydrochloride → (-)-SKF 38393 (81702-43-4,81633-77-4)

Guidance literature:

With methanesulfonic acid; DL-methionine; In water; at 25 ℃; for 96h; Yield given;

DOI:10.1021/jm00348a017