Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

Base Information

Chemical Name:Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-
CAS No.:103729-13-1
Molecular Formula:C₁₉H₂₁NS
Molecular Weight:295.448
Hs Code.:
UNII:Y33Z4ABP6N
DSSTox Substance ID:DTXSID001128845
Nikkaji Number:J259.887F
Wikipedia:McN5652
Wikidata:Q6802431
Pharos Ligand ID:XQZ46QJVLBHC
ChEMBL ID:CHEMBL361259

Synonyms:103729-13-1;(+/-)-MCN 5652;96795-89-0;Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-;(-)-MCN-5652;UNII-Y33Z4ABP6N;Y33Z4ABP6N;MCN-5652, (-)-;CHEMBL361259;(6R,10bS)-6-(4-methylsulfanylphenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;(6R,10bS)-rel-1,2,3,5,6,10b-Hexahydro-6-[4-(methylthio)phenyl]-pyrrolo[2,1-a]isoquinoline;(6R,10bS)-6-(4-(Methylthio)phenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;McN5652;(6R,10bS)-1,2,3,5,6,10b-Hexahydro-6-[4-(methylthio)phenyl]pyrrolo[2,1-a]isoquinoline;(6R,10BS)-1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)PYRROLO(2,1-A)ISOQUINOLINE;McN-5652-X-68;SCHEMBL6307737;McN 5652-Z;BDBM81991;CHEBI:125531;DTXSID001128845;HMS3413G19;HMS3677G19;()-McN 5652;BDBM50154364;AKOS024456956;(-)-MCN 5652-Z;NCGC00159540-01;McN 5652, (+/-);(-)-Mcn 5652,(+)-di-O-toluyltartrate salt;Q6802431;BRD-K31168993-001-01-0;(6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline;(6R,10BS)-6-[4-(METHYLSULFANYL)PHENYL]-1H,2H,3H,5H,6H,10BH-PYRROLO[2,1-A]ISOQUINOLINE;PYRROLO(2,1-A)ISOQUINOLINE, 1,2,3,5,6,10B-HEXAHYDRO-6-(4-(METHYLTHIO)PHENYL)-, (6R-TRANS)-

Suppliers and Price of Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

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
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Total 1 raw suppliers

Chemical Property of Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:295.13947085
Heavy Atom Count:21
Complexity:350

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
Isomeric SMILES:CSC1=CC=C(C=C1)[C@H]2CN3CCC[C@H]3C4=CC=CC=C24

Technology Process of Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-

There total 16 articles about Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)- 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:

: 370102-66-2
6-(4-(methylthio)phenyl)-2,3,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-5(1H)-one

: 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

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

Guidance literature:: With borane-THF; for 1h; Heating;
DOI:10.1021/jm00391a028

Reference yield:

: 370102-66-2
6-(4-(methylthio)phenyl)-2,3,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-5(1H)-one

: 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

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

Guidance literature:: With borane-THF; for 1h; Heating;
DOI:10.1021/jm00391a028

Reference yield:

: 1006-64-0
2-(phenyl)pyrrolidine

: 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

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / TsOH / xylene

2: 92 percent / conc. H₂SO₄ / trifluoroacetic acid / 20 °C

3: BH₂-THF

With BH₂-THF; sulfuric acid; toluene-4-sulfonic acid; In trifluoroacetic acid; xylene;
DOI:10.1016/S0968-0896(01)00117-1