3-Mesitylpropanenitrile

Base Information

Chemical Name:3-Mesitylpropanenitrile
CAS No.:27645-05-2
Molecular Formula:C12H15N
Molecular Weight:173.25
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70695306
Wikidata:Q82624458
Mol file:27645-05-2.mol

Synonyms:3-MESITYLPROPANENITRILE;3-(2,4,6-trimethylphenyl)propanenitrile;27645-05-2;DTXSID70695306;AKOS011840756;EN300-1852600

Suppliers and Price of 3-Mesitylpropanenitrile

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

Labseeker
3-mesitylpropanenitrile 95
25g
$ 3675.00

American Custom Chemicals Corporation
3-MESITYLPROPANENITRILE 95.00%
5MG
$ 500.10

Total 3 raw suppliers

Chemical Property of 3-Mesitylpropanenitrile

Chemical Property:

PSA：23.79000
LogP:3.06798
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:173.120449483
Heavy Atom Count:13
Complexity:188

Purity/Quality:

98%Min ^*data from raw suppliers

3-mesitylpropanenitrile 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Mesitylpropanenitrile

There total 7 articles about 3-Mesitylpropanenitrile 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: 75.0%

: 769-25-5
2,4,6-trimethylstyrene

: 1-methylcyclohexa-2,5-diene-1-carbonitrile

: 27645-05-2
3-mesitylpropanenitrile

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; tris(pentafluorophenyl)borate; bis[2-(diphenylphosphino)phenyl] ether; In 1,4-dioxane; at 110 ℃; for 20h; regioselective reaction; Glovebox; Inert atmosphere;
DOI:10.1021/jacs.8b10651

Reference yield: 23.0%

: 5980-97-2
mesitylboronic acid

: 107-13-1,25014-41-9
acrylonitrile

: 27645-05-2
3-mesitylpropanenitrile

Guidance literature:: With terephthalonitrile; phenanthrene; sodium hydroxide; In water; acetonitrile; at 20 ℃; for 6h; Inert atmosphere; Irradiation;
DOI:10.1039/c7cc09140k

Reference yield:

: 487-68-3
mesytaldehyde

: 27645-05-2
3-mesitylpropanenitrile

Guidance literature:: Multi-step reaction with 4 steps

1: 90 percent / ethanol / 1 h / Heating

2: 80 percent / NaH (60percent in mineral oil) / tetrahydrofuran / -10 deg C to r.t.

3: 110 °C / 0.01 Torr

4: Irradiation

With sodium hydride; In tetrahydrofuran; ethanol;
DOI:10.1002/(SICI)1099-1395(199704)10:4<207::AID-POC883>3.0.CO;2-8