Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6S,10bR)-, perchlorate (1:1)

Base Information

• Chemical Name: Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6S,10bR)-, perchlorate (1:1)
• CAS No.: 96795-90-3
• Molecular Formula: C₁₉H₂₁NS*ClHO₄
• Molecular Weight: 395.907
• UNII: 5KXU86QWCS,96GSK40TLP

Synonyms:McN 5652;McN 5652-X-68;McN-5652;McN-5652-Z;McN-5652-Z-68;MCN-5652Z68

Chemical Property of Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6S,10bR)-, perchlorate (1:1)

Chemical Property:

• Vapor Pressure: 1.05E-07mmHg at 25°C
• Boiling Point: 433.1°C at 760 mmHg
• Flash Point: 215.7°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 395.0958071
• Heavy Atom Count: 26
• Complexity: 463

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2CN3CCCC3C4=CC=CC=C24.OCl(=O)(=O)=O
• Isomeric SMILES: CSC1=CC=C(C=C1)[C@@H]2CN3CCC[C@@H]3C4=CC=CC=C24.OCl(=O)(=O)=O

Technology Process of Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6S,10bR)-, perchlorate (1:1)

There total 3 articles about Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6S,10bR)-, perchlorate (1:1) 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:

6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinolin-6-ol; hydrochloride (124252-58-0) → trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline perchlorate (90390-80-0,96795-90-3)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline (90390-64-0,96795-89-0,103729-13-1,103729-16-4,119341-63-8,125410-76-6,142759-08-8,142759-12-4) → (+)-trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline perchlorate salt (96795-90-3)

Guidance literature:

DOI:10.1021/jm00391a028

Reference yield:

trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline (90390-64-0,96795-89-0,103729-13-1,103729-16-4,119341-63-8,125410-76-6,142759-08-8,142759-12-4) → (-)-trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline perchlorate (96795-90-3)

Guidance literature:

DOI:10.1021/jm00391a028

upstream raw materials:

6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinolin-6-ol; hydrochloride

trans-1,2,3,5,6,10b-hexahydro-6-<4-(methylthio)phenyl>pyrrolo<2,1-a>isoquinoline

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