5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile

Base Information

Chemical Name:5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile
CAS No.:128917-86-2
Molecular Formula:C16H13N3S
Molecular Weight:279.365
Hs Code.:
DSSTox Substance ID:DTXSID101131300

Synonyms:DTXSID101131300;5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile;128917-86-2

Suppliers and Price of 5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:279.08301860
Heavy Atom Count:20
Complexity:586

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=S)NC(=C1CC2=CC=C(C=C2)C#N)C)C#N

Technology Process of 5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile

There total 3 articles about 5-[(4-Cyanophenyl)methyl]-1,2-dihydro-4,6-dimethyl-2-thioxo-3-pyridinecarbonitrile 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:

: 7357-70-2
Cyanothioacetamide

: 61713-42-6
3-(4-Cyan-benzyl)acetylaceton

: 128917-86-2
5-(4-Cyan-benzyl)-4,6-dimethyl-2-thioxo-1,2-dihydro-pyridin-3-carbonitril

Guidance literature:: With triethylamine; In ethanol; for 0.25h; Yield given; Heating;

Reference yield:

: 17201-43-3
4-cyanobenzyl bromide

: 128917-86-2
5-(4-Cyan-benzyl)-4,6-dimethyl-2-thioxo-1,2-dihydro-pyridin-3-carbonitril

Guidance literature:: Multi-step reaction with 2 steps

1: C₂H₅ONa / ethanol / 3 h / 60 °C

2: Triethylamin / ethanol / 0.25 h / Heating

With sodium ethanolate; triethylamine; In ethanol;

Reference yield:

: 123-54-6,81235-32-7
acetylacetone

: 128917-86-2
5-(4-Cyan-benzyl)-4,6-dimethyl-2-thioxo-1,2-dihydro-pyridin-3-carbonitril

Guidance literature:: Multi-step reaction with 2 steps

1: C₂H₅ONa / ethanol / 3 h / 60 °C

2: Triethylamin / ethanol / 0.25 h / Heating

With sodium ethanolate; triethylamine; In ethanol;