2-(2-Isopropylphenyl)acetonitrile

Base Information

Chemical Name:2-(2-Isopropylphenyl)acetonitrile
CAS No.:91131-80-5
Molecular Formula:C11H13 N
Molecular Weight:159.231
Hs Code.:
DSSTox Substance ID:DTXSID601291705
Mol file:91131-80-5.mol

Synonyms:2-(2-ISOPROPYLPHENYL)ACETONITRILE;91131-80-5;2-(2-propan-2-ylphenyl)acetonitrile;2-[2-(propan-2-yl)phenyl]acetonitrile;o-Cymene-7-carbonitrile (6CI,7CI);SCHEMBL4612794;DTXSID601291705;2-(1-Methylethyl)benzeneacetonitrile;AKOS006310614;BS-53231;CS-0435030;F75371;EN300-1849854

Suppliers and Price of 2-(2-Isopropylphenyl)acetonitrile

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

Atlantic Research Chemicals
2-(2-Isopropylphenyl)acetonitrile 95%
1gm:
$ 1127.53

Total 6 raw suppliers

Chemical Property of 2-(2-Isopropylphenyl)acetonitrile

Chemical Property:

Boiling Point:133 - 139 °C (16 mmHg)
PSA：23.79000
LogP:2.87608
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.104799419
Heavy Atom Count:12
Complexity:175

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

2-(2-Isopropylphenyl)acetonitrile 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC=CC=C1CC#N

Technology Process of 2-(2-Isopropylphenyl)acetonitrile

There total 6 articles about 2-(2-Isopropylphenyl)acetonitrile 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: 69.0%

: 18293-53-3
2-trimethylsilylacetonitrile

: 7073-94-1
1-bromo-2-isopropylbenzene

: 91131-80-5
(2-isopropylphenyl)acetonitrile

Guidance literature:: With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; zinc(II) fluoride; tri-tert-butyl phosphine; In N,N-dimethyl-formamide; at 90 ℃; for 24h;
DOI:10.1021/ja053027x

Reference yield:

: 7073-94-1
1-bromo-2-isopropylbenzene

: 91131-80-5
(2-isopropylphenyl)acetonitrile

Guidance literature:: Multi-step reaction with 4 steps

1: (i) Mg, (ii) /BRN= 1900390/

3: (i) LiAlH₄, (ii) SOCl₂

4: aq. ethanol

In ethanol;