5,6,7,8-tetrahydro-1-(Methylthio)-5,8-Methanoisoquinoline

Base Information

• Chemical Name: 5,6,7,8-tetrahydro-1-(Methylthio)-5,8-Methanoisoquinoline
• CAS No.: 145041-54-9
• Molecular Formula: C11H13NS
• Molecular Weight: 191.29
• Hs Code.: 2933499090
• Mol file: 145041-54-9.mol

Synonyms:5,6,7,8-tetrahydro-5,8-methano-1-thiomethyl-isoquinoline;

Chemical Property of 5,6,7,8-tetrahydro-1-(Methylthio)-5,8-Methanoisoquinoline

Chemical Property:

• Boiling Point: 272.5±40.0 °C(Predicted)
• PKA: 4.85±0.20(Predicted)
• PSA: 38.19000
• Density: 1.20±0.1 g/cm3(Predicted)
• LogP: 3.16820

Purity/Quality:

97% ^*data from raw suppliers

1-(Methylthio)-5,6,7,8-tetrahydro-5,8-methanoisoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5,6,7,8-tetrahydro-1-(Methylthio)-5,8-Methanoisoquinoline

There total 3 articles about 5,6,7,8-tetrahydro-1-(Methylthio)-5,8-Methanoisoquinoline 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: 51.0%

norborn-2-ene (498-66-8) + 3-methylthio-1,2,4-triazine (28735-21-9) → 4a,5,6,7,8,8a-hexahydro-5,8-methano-1-thiomethylisoquinoline (145041-53-8) + 1-(methylsulfanyl)-5,6,7,8-tetrahydro-5,8-methanoisoquinoline (145041-54-9) + (1α,4α,4aβ,5α,5aβ,6α,9α,9aβ,10α,10aβ)-1,2,3,4,4a,5,5a,6,9,9a,10,10a-dodecahydro-5,10-methanimino-1,4:6,9-dimethano-5-thiomethylanthracene (145041-55-0)

Guidance literature:

In xylene; for 72h; Yield given. Title compound not separated from byproducts; Heating;

DOI:10.1016/S0040-4020(01)90378-3

Reference yield: 50.0%

4a,5,6,7,8,8a-hexahydro-5,8-methano-1-thiomethylisoquinoline (145041-53-8) → 1-(methylsulfanyl)-5,6,7,8-tetrahydro-5,8-methanoisoquinoline (145041-54-9)

Guidance literature:

With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 0.5h;

DOI:10.1016/S0040-4020(01)90378-3

Reference yield:

norborn-2-ene (498-66-8) → 1-(methylsulfanyl)-5,6,7,8-tetrahydro-5,8-methanoisoquinoline (145041-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / 72 h / Heating

2: 50 percent / DDQ, glacial acetic acid / dioxane / 0.5 h

With acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; xylene;

DOI:10.1016/S0040-4020(01)90378-3

upstream raw materials:

4a,5,6,7,8,8a-hexahydro-5,8-methano-1-thiomethylisoquinoline

norborn-2-ene

3-methylthio-1,2,4-triazine

Downstream raw materials:

5,6,7,8-tetrahydro-5,8-methano-isoquinoline

ethyl 1-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydro-5,8-methanoisoquinoline-4-carboxylate

ethyl 1-{[3-chlorophenyl]amino}-5,6,7,8-tetrahydro-5,8-methanoisoquinoline-4-carboxylate

1-{[3-(trifluoromethyl)phenyl]amino}-5,6,7,8-tetrahydro-5,8-methanoisoquinoline-4-carboxylic acid