2-(3,5-Dimethylphenyl)-2-methylpropanenitrile

Base Information

Chemical Name:2-(3,5-Dimethylphenyl)-2-methylpropanenitrile
CAS No.:93748-07-3
Molecular Formula:C₁₂H₁₅N
Molecular Weight:173.258
Hs Code.:
DSSTox Substance ID:DTXSID00558839
Wikidata:Q82441287
Mol file:93748-07-3.mol

Synonyms:2-(3,5-dimethylphenyl)-2-methylpropanenitrile;93748-07-3;ALPHA,ALPHA,3,5-TETRAMETHYL-BENZENEACETONITRILE;SCHEMBL10701617;DTXSID00558839;CS-0280400;EN300-1849618

Suppliers and Price of 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile

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

TRC
α,α,3,5-Tetramethyl-benzeneacetonitrile
1g
$ 1060.00

TRC
α,α,3,5-Tetramethyl-benzeneacetonitrile
100mg
$ 135.00

Total 4 raw suppliers

Chemical Property of 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile

Chemical Property:

Boiling Point:126-128 °C(Press: 15 Torr)
Density:0.951±0.06 g/cm3(Predicted)
Storage Temp.:Refrigerator
Solubility.:Chloroform, Methanol (Slightly)
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:173.120449483
Heavy Atom Count:13
Complexity:211

Purity/Quality:

99% ^*data from raw suppliers

α,α,3,5-Tetramethyl-benzeneacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1)C(C)(C)C#N)C
Uses α,α,3,5-Tetramethyl-benzeneacetonitrile (cas# 93748-07-3) is a compound useful in organic synthesis.

Technology Process of 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile

There total 3 articles about 2-(3,5-Dimethylphenyl)-2-methylpropanenitrile 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: 91.1%

: 39101-54-7
3,5-dimethylphenylacetonitrile

: 74-88-4
methyl iodide

: 93748-07-3
2-(3,5-dimethylphenyl)-2-methylpropionitrile

Guidance literature:: 3,5-dimethylphenylacetonitrile; With lithium diisopropyl amide; In tetrahydrofuran; at -50 ℃; for 0.5h;

methyl iodide; In tetrahydrofuran; at 10 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield:

: 39101-54-7
3,5-dimethylphenylacetonitrile

: 93748-07-3
2-(3,5-dimethylphenyl)-2-methylpropionitrile

Guidance literature:: With diethyl ether; sodium amide; Behandeln des Reaktionsgemisches mit Methyljodid und Erwaermen des Reaktionsprodukts mit Natriumamid in Benzol und anschliessend mit Methyljodid;
DOI:10.1021/ja01242a017

Reference yield:

: 60-29-7,927820-24-4
diethyl ether

: 39101-54-7
3,5-dimethylphenylacetonitrile

: sodium amide

: 93748-07-3
2-(3,5-dimethylphenyl)-2-methylpropionitrile

Guidance literature:: anschl. Behandeln m. Methyljodid, Erwaermen d. Reaktionsprodukts m. Natriumamid in Benzol u. Behandeln d. Reaktionsgemisches mit Methyljodid;
DOI:10.1021/ja01242a017