(Z)-3-Methyl-5-phenylpent-2-enenitrile

Base Information

Chemical Name:(Z)-3-Methyl-5-phenylpent-2-enenitrile
CAS No.:53243-59-7
Molecular Formula:C12H13 N
Molecular Weight:171.242
Hs Code.:2926909090
European Community (EC) Number:258-446-9
UNII:XYK3L5MDW3
DSSTox Substance ID:DTXSID0052170
Nikkaji Number:J295.914C
Wikidata:Q76139506
Mol file:53243-59-7.mol

Synonyms:53243-59-7;(Z)-3-Methyl-5-phenylpent-2-enenitrile;citronitril;EINECS 258-446-9;(2Z)-3-methyl-5-phenylpent-2-enenitrile;2-Pentenenitrile, 3-methyl-5-phenyl-, (Z)-;(2Z)-3-Methyl-5-phenyl-2-pentenenitrile;XYK3L5MDW3;(Z) - 3 - methyl - 5 - phenylpent - 2 - enenitrile;SCHEMBL1924615;DTXSID0052170;AKOS030510903;cis-3-Methyl-5-phenyl-2-pentenenitrile;(Z)-3-Methyl-5-phenyl-2-pentenenitrile

Suppliers and Price of (Z)-3-Methyl-5-phenylpent-2-enenitrile

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
(Z)-3-METHYL-5-PHENYLPENT-2-ENENITRILE 95.00%
5MG
$ 504.87

Total 7 raw suppliers

Chemical Property of (Z)-3-Methyl-5-phenylpent-2-enenitrile

Chemical Property:

Vapor Pressure:0.000615mmHg at 25°C
Boiling Point:310°C at 760 mmHg
Flash Point:141.8°C
PSA：23.79000
Density:0.978g/cm³
LogP:3.08908
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:171.104799419
Heavy Atom Count:13
Complexity:213

Purity/Quality:

99% ^*data from raw suppliers

(Z)-3-METHYL-5-PHENYLPENT-2-ENENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=CC#N)CCC1=CC=CC=C1
Isomeric SMILES:C/C(=C/C#N)/CCC1=CC=CC=C1

Technology Process of (Z)-3-Methyl-5-phenylpent-2-enenitrile

There total 5 articles about (Z)-3-Methyl-5-phenylpent-2-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: 33.0%

: 2537-48-6
diethyl 1-cyanomethylphosphonate

: 2550-26-7
4-Phenyl-2-butanone

: 53243-59-7
(Z)-3-methyl-5-phenylpent-2-enenitrile

: 53243-60-0
3-methyl-5-phenyl-pent-2-enenitrile

Guidance literature:: With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 14h;
DOI:10.1002/anie.201402053

Reference yield:

: 928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4
maleonitrile

: 72485-49-5
(E)-(3-methylpent-3-en-1-yl)benzene

: 53243-59-7
(Z)-3-methyl-5-phenylpent-2-enenitrile

: 53243-60-0
3-methyl-5-phenyl-pent-2-enenitrile

Guidance literature:: With tris(pentafluorophenyl)borate; C₅₉H₇₀ClF₅MoNOP; In benzene; at 40 ℃; for 4h; Overall yield = 82 %;
DOI:10.1038/s41557-019-0233-x

Reference yield:

: 928-53-0,764-42-1,17656-09-6,62600-65-1,62742-11-4
maleonitrile

: 72485-50-8
(Z)-(3-methylpent-3-en-1-yl)benzene

: 53243-59-7
(Z)-3-methyl-5-phenylpent-2-enenitrile

: 53243-60-0
3-methyl-5-phenyl-pent-2-enenitrile

Guidance literature:: With tris(pentafluorophenyl)borate; C₅₉H₇₀ClF₅MoNOP; In benzene; at 40 ℃; for 4h; Overall yield = 75 %;
DOI:10.1038/s41557-019-0233-x