Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)-

Base Information

Chemical Name:Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)-
CAS No.:77587-05-4
Molecular Formula:C₁₃H₁₅N
Molecular Weight:185.269
Hs Code.:
DSSTox Substance ID:DTXSID00456149
Nikkaji Number:J2.408.901K
Wikidata:Q82278373

Synonyms:Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)-;77587-05-4;DTXSID00456149;4-(1,1,2-Trimethyl-2-propenyl)benzonitrile

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

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Chemical Property of Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)-

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:185.120449483
Heavy Atom Count:14
Complexity:258

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)-

There total 8 articles about Benzonitrile, 4-(1,1,2-trimethyl-2-propenyl)- 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: 28.0%

: 623-26-7
terephthalonitrile

: 563-79-1
2,3-Dimethyl-2-butene

: 77587-05-4
3-(4-cyanophenyl)-2,3-dimethyl-1-butene

: 3-(4-cyanophenyl)-2-fluoro-2,3-dimethylbutane

Guidance literature:: With biphenyl; tetrabutyl ammonium fluoride; In acetonitrile; at 10 ℃; for 24h; Mechanism; Irradiation; other olefins;
DOI:10.1139/v97-614

Reference yield: 20.0%

: 623-26-7
terephthalonitrile

: 563-79-1
2,3-Dimethyl-2-butene

: 75-31-0
isopropylamine

: 4-(2-amino-1,1,2-trimethylpropyl)benzonitrile

: 4-(2-isopropylamino-1,1,2-trimethylpropyl)benzonitrile

: 77587-05-4
3-(4-cyanophenyl)-2,3-dimethyl-1-butene

: 77587-04-3
4-(2,3-dimethylbut-2-en-1-yl)benzonitrile

Guidance literature:: With 1,2,4-triphenylbenzene; ammonia; N,N,N,N-tetraethylammonium tetrafluoroborate; In water; acetonitrile; at 20 ℃; for 8h; Irradiation;
DOI:10.1016/j.tet.2006.10.064