3-Methyl-5-phenylpent-2-enenitrile

Base Information

Chemical Name:3-Methyl-5-phenylpent-2-enenitrile
CAS No.:53243-60-0
Molecular Formula:C12H13 N
Molecular Weight:171.242
Hs Code.:
European Community (EC) Number:258-447-4,299-682-2
DSSTox Substance ID:DTXSID5052171
Nikkaji Number:J295.915A,J236.626F
Wikidata:Q81984952
Mol file:53243-60-0.mol

Synonyms:3-Methyl-5-phenylpent-2-enenitrile;93893-89-1;53243-60-0;(E)-3-Methyl-5-phenylpent-2-enenitrile;(2E)-3-methyl-5-phenylpent-2-enenitrile;2-Pentenenitrile, 3-methyl-5-phenyl-;5-Phenyl-3-methyl-2-pentenonitrile;EINECS 258-447-4;EINECS 299-682-2;2-Pentenenitrile, 3-methyl-5-phenyl-, (E)-;2-Pentenenitrile, 3-methyl-5-phenyl-, (2E)-;starbld0004935;Cambridge id 5190888;SCHEMBL111450;DTXSID5052171;HMS1577L16;BBL011672;MFCD00011718;STL163364;AKOS005715333;(E)-3-Methyl-5-phenyl-2-pentenenitrile;VS-02999;(2E)-3-Methyl-5-phenyl-2-pentenenitrile;(2E)-3-Methyl-5-phenyl-2-pentenenitrile #;3 - methyl - 5 - phenylpent - 2 - enenitrile;(E) - 3 - methyl - 5 - phenylpent - 2 - enenitrile

Suppliers and Price of 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

Total 6 raw suppliers

Chemical Property of 3-Methyl-5-phenylpent-2-enenitrile

Chemical Property:

Boiling Point:310°Cat760mmHg
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

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 3-Methyl-5-phenylpent-2-enenitrile

There total 10 articles about 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: 74.0%

: 72681-06-2
(E)-3-methyl-5-phenyl-2-penteneamide

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

Guidance literature:: With silver(I) acetate; lithium chloride; palladium dichloride; In acetonitrile; at 80 ℃; Inert atmosphere;
DOI:10.1021/jacs.5b06418

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