3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

Base Information

Chemical Name:3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
CAS No.:129340-04-1
Molecular Formula:C17H16N2S
Molecular Weight:280.393
Hs Code.:2933499090
European Community (EC) Number:655-392-1
DSSTox Substance ID:DTXSID10358867
Wikidata:Q82139757
Mol file:129340-04-1.mol

Synonyms:129340-04-1;3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile;1-(4-methylphenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile;3-Mercapto-1-(p-tolyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;1-(4-methylphenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;DTXSID10358867;STK535884;AKOS000116279;CS-0281290;EN300-03365;J-005669;3-MERCAPTO-1-(4-METHYLPHENYL)-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE

Suppliers and Price of 3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

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
Packaging
price

American Custom Chemicals Corporation
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE 95.00%
1G
$ 808.89

Total 3 raw suppliers

Chemical Property of 3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

Chemical Property:

PSA：75.48000
LogP:4.09618
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:280.10341969
Heavy Atom Count:20
Complexity:539

Purity/Quality:

97% ^*data from raw suppliers

3-MERCAPTO-1-P-TOLYL-5,6,7,8-TETRAHYDRO-ISOQUINOLINE-4-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C2=C3CCCCC3=C(C(=S)N2)C#N

Technology Process of 3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile

There total 4 articles about 3-Mercapto-1-p-tolyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile 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: 30.0%

: 2826-25-7
2-(4-methylbenzylidene)malononitrile

: 129224-53-9
2-cyano-2-cyclohexylidenethioacetamide

: 129340-04-1
3-Thioxo-1-p-tolyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile

Guidance literature:: With triethylamine; In ethanol; 1.) 2h reflux 2.) room temperature;

Reference yield: 20.0%

: 4354-73-8
2-(cyclohexylidene)malononitrile

: 97651-32-6
p-tolylmethylenecyanothioacetamide

: 129340-04-1
3-Thioxo-1-p-tolyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile

Guidance literature:: With triethylamine; In ethanol; 1.) 2h reflux 2.) room temperature;

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 129340-04-1
3-Thioxo-1-p-tolyl-2,3,5,6,7,8-hexahydro-isoquinoline-4-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / ammonium acetate, glacial acetic acid / benzene / 4 h / Heating

2: 30 percent / triethylamine / ethanol / 1.) 2h reflux 2.) room temperature

With ammonium acetate; acetic acid; triethylamine; In ethanol; benzene;