3-(4-Methylphenyl)prop-2-ynenitrile

Base Information

Chemical Name:3-(4-Methylphenyl)prop-2-ynenitrile
CAS No.:151589-34-3
Molecular Formula:C10H7N
Molecular Weight:141.172
Hs Code.:
DSSTox Substance ID:DTXSID00593725
Nikkaji Number:J3.394.161G
Wikidata:Q82488255
Mol file:151589-34-3.mol

Synonyms:3-(4-Methylphenyl)prop-2-ynenitrile;151589-34-3;3-(p-Tolyl)propiolonitrile;p-Tolyl-propiol-nitril;SCHEMBL6637223;DTXSID00593725;BGA58934;AKOS023427750;EN300-384355;G68417

Suppliers and Price of 3-(4-Methylphenyl)prop-2-ynenitrile

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

Total 2 raw suppliers

Chemical Property of 3-(4-Methylphenyl)prop-2-ynenitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:141.057849228
Heavy Atom Count:11
Complexity:223

Purity/Quality:: 98%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C#CC#N

Technology Process of 3-(4-Methylphenyl)prop-2-ynenitrile

There total 20 articles about 3-(4-Methylphenyl)prop-2-ynenitrile 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: 97.0%

: 78-67-1
2,2'-azobis(isobutyronitrile)

: 766-97-2
4-n-methylphenylacetylene

: 151589-34-3
3-(4-methylphenyl)-2-propynenitrile

Guidance literature:: With Cu-MOF; In acetonitrile; at 90 ℃; for 10h;

Reference yield: 84.0%

: 73789-56-7
N-isocyaniminotriphenylphosphorane

: 766-97-2
4-n-methylphenylacetylene

: 151589-34-3
3-(4-methylphenyl)-2-propynenitrile

Guidance literature:: With silver trifluoromethanesulfonate; In water; N,N-dimethyl-formamide; at 80 ℃; for 6h; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.7b02743

Reference yield: 82.0%

: 7391-28-8
p-tolueneacetonitrile

: 151589-34-3
3-(4-methylphenyl)-2-propynenitrile

Guidance literature:: p-tolueneacetonitrile; With lithium hexamethyldisilazane; In tetrahydrofuran; ethylbenzene; at -60 ℃; for 0.5h; Inert atmosphere;

With diethyl chlorophosphate; In tetrahydrofuran; ethylbenzene; at -60 - 20 ℃; for 0.5h; Inert atmosphere;

With lithium hexamethyldisilazane; In tetrahydrofuran; ethylbenzene; at -60 ℃; for 1h; Inert atmosphere;
DOI:10.1139/cjc-2016-0181