3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Base Information

Chemical Name:3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CAS No.:53661-31-7
Molecular Formula:C10H10N2O
Molecular Weight:174.19900
Hs Code.:2933790090
European Community (EC) Number:831-993-6
ChEMBL ID:CHEMBL118680
DSSTox Substance ID:DTXSID10480031
Wikidata:Q82314506
Mol file:53661-31-7.mol

Synonyms:53661-31-7;3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile;3-oxo-2,3,5,6,7,8-hexahydro-4-isoquinolinecarbonitrile;3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile;CHEMBL118680;SCHEMBL16935277;DTXSID10480031;MFCD00822620;AKOS006273124;BS-38136;CS-0308377;EN300-117890;4-cyano-2,3,5,6,7,8-hexahydroisoquinol-3-one;SR-01000512662;SR-01000512662-1;3-Hydroxy-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;Z1198155242

Suppliers and Price of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-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

TRC
3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
100mg
$ 65.00

Chemenu
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile 95%
25g
$ 1683.00

Chemenu
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile 95%
10g
$ 842.00

Chemenu
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile 95%
5g
$ 561.00

American Custom Chemicals Corporation
2,3,5,6,7,8-HEXAHYDRO-3-OXO-4-ISOQUINOLINECARBONITRILE 95.00%
5MG
$ 502.87

Alichem
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
25g
$ 1951.85

Alichem
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
10g
$ 1003.82

Alichem
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
5g
$ 676.24

AK Scientific
3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
1g
$ 479.00

AccelPharmtech
2,3,5,6,7,8-hexahydro-3-oxo-4-Isoquinolinecarbonitrile 97.00%
25G
$ 4320.00

Total 5 raw suppliers

Chemical Property of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Chemical Property:

PSA：56.91000
LogP:1.53768
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:174.079312947
Heavy Atom Count:13
Complexity:368

Purity/Quality:

99% ^*data from raw suppliers

3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C(=O)NC=C2C1)C#N

Technology Process of 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

There total 6 articles about 3-Oxo-2,3,5,6,7,8-hexahydroisoquinoline-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: 90.0%