2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile

Base Information

Chemical Name:2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile
CAS No.:112629-72-8
Molecular Formula:C₁₁H₁₂N₂S
Molecular Weight:204.296
Hs Code.:
DSSTox Substance ID:DTXSID70383236
Wikidata:Q82174888
Mol file:112629-72-8.mol

Synonyms:112629-72-8;2-(allylsulfanyl)-4,6-dimethylnicotinonitrile;4,6-dimethyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile;2-(Allylsulfanyl)-4,6-dimethyl nicotinonitrile;TimTec1_005120;DTXSID70383236;AKOS022648068;2-(Allylthio)-4,6-dimethylnicotinonitrile;FT-0729254;4,6-dimethyl-2-(prop-2-en-1-ylsulfanyl)pyridine-3-carbonitrile;4,6-Dimethyl-2-[(prop-2-en-1-yl)sulfanyl]pyridine-3-carbonitrile

Suppliers and Price of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile

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
2-(ALLYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE 95.00%
250MG
$ 717.34

American Custom Chemicals Corporation
2-(ALLYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE 95.00%
100MG
$ 619.96

Total 3 raw suppliers

Chemical Property of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile

Chemical Property:

Vapor Pressure:0.00028mmHg at 25°C
Melting Point:25 °C
Refractive Index:1.568
Boiling Point:322.4°Cat760mmHg
PKA:0.66±0.37(Predicted)
Flash Point:148.8°C
PSA：61.98000
Density:1.11g/cm³
LogP:2.84818
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:204.07211956
Heavy Atom Count:14
Complexity:243

Purity/Quality:

98%min ^*data from raw suppliers

2-(ALLYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=NC(=C1C#N)SCC=C)C

Technology Process of 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile

There total 2 articles about 2-(Allylsulfanyl)-4,6-dimethylnicotinonitrile 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: 82.0%

: 54585-47-6
4,6-Dimethyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

: 106-95-6
allyl bromide

: 112629-72-8
2-Allylsulfanyl-4,6-dimethyl-nicotinonitrile

Guidance literature:: With potassium hydroxide; In N,N-dimethyl-formamide; for 1h;
DOI:10.1007/BF00476391

Reference yield:

: 63913-42-8
(3E)-4-morpholin-4-yl-pent-3-en-2-one

: 112629-72-8
2-Allylsulfanyl-4,6-dimethyl-nicotinonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / ethanol / var. 2-aminovinyl ketones

2: 82 percent / 10percent aq. KOH / dimethylformamide / 25 °C

With potassium hydroxide; In ethanol; N,N-dimethyl-formamide;