(E)-4-(4-methylphenyl)but-3-enenitrile

Base Information

Chemical Name:(E)-4-(4-methylphenyl)but-3-enenitrile
CAS No.:29576-16-7
Molecular Formula:C₁₁H₁₁N
Molecular Weight:157.215
Hs Code.:
DSSTox Substance ID:DTXSID001280122
Nikkaji Number:J1.013.380G,J3.177.026B

Synonyms:29576-16-7;SCHEMBL6882718;DTXSID001280122;(3E)-4-(4-Methylphenyl)-3-butenenitrile

Suppliers and Price of (E)-4-(4-methylphenyl)but-3-enenitrile

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (E)-4-(4-methylphenyl)but-3-enenitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:157.089149355
Heavy Atom Count:12
Complexity:188

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of (E)-4-(4-methylphenyl)but-3-enenitrile

There total 11 articles about (E)-4-(4-methylphenyl)but-3-enenitrile 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: 100.0%

: 81981-13-7
3-acetoxy-3-cyano-1-(4-methylphenyl)propene

: 29576-16-7
4-(4-methylphenyl)-3-butenenitrile

Guidance literature:: With polymethylhydrosiloxane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 1.5h; Ambient temperature;
DOI:10.1021/jo00168a034

Reference yield: 85.0%

: 622-97-9,24936-41-2
1-ethenyl-4-methylbenzene

: 590-17-0
cyanomethyl bromide

: 29576-16-7
4-(4-methylphenyl)-3-butenenitrile

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 110 ℃; for 1h; Inert atmosphere; Schlenk technique;
DOI:10.1039/c9cc01988j

Reference yield: 74.0%

: 1866-39-3,940-61-4
4-methylcinnamic acid

: 624-75-9
iodoacetonitrile

: 29576-16-7
4-(4-methylphenyl)-3-butenenitrile

Guidance literature:: With potassium carbonate; In tetrahydrofuran; water; at 20 ℃; for 31h; Irradiation; Schlenk technique; Inert atmosphere;
DOI:10.1021/acs.orglett.1c02585