2-(3-Methyl-2-nitrophenyl)acetonitrile

Base Information

Chemical Name:2-(3-Methyl-2-nitrophenyl)acetonitrile
CAS No.:91192-25-5
Molecular Formula:C9H8N2O2
Molecular Weight:176.175
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70549193
Wikidata:Q82428157
Mol file:91192-25-5.mol

Synonyms:2-(3-Methyl-2-nitrophenyl)acetonitrile;91192-25-5;3-METHYL-2-NITROBENZYL CYANIDE;SCHEMBL6104259;DTXSID70549193;QRUQKLCGZUEVHE-UHFFFAOYSA-N;(3-Methyl-2-nitrophenyl)acetonitrile;AKOS006284767;CS-0279452;G10558;EN300-1837764

Suppliers and Price of 2-(3-Methyl-2-nitrophenyl)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

TRC
2-(3-methyl-2-nitrophenyl)acetonitrile
50mg
$ 45.00

Crysdot
2-(3-Methyl-2-nitrophenyl)acetonitrile 95+%
5g
$ 677.00

Chemcia Scientific
2-(3-Methyl-2-nitrophenyl)acetonitrile 97%
1 G
$ 240.00

Apolloscientific
2-(3-Methyl-2-nitrophenyl)acetonitrile 95%
1g
$ 435.00

Apolloscientific
2-(3-Methyl-2-nitrophenyl)acetonitrile 95%
250mg
$ 189.00

American Custom Chemicals Corporation
2-(3-METHYL-2-NITROPHENYL)ACETONITRILE 95.00%
5MG
$ 499.11

Total 5 raw suppliers

Chemical Property of 2-(3-Methyl-2-nitrophenyl)acetonitrile

Chemical Property:

PSA：69.61000
LogP:2.49248
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:176.058577502
Heavy Atom Count:13
Complexity:238

Purity/Quality:

99% ^*data from raw suppliers

2-(3-methyl-2-nitrophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)CC#N)[N+](=O)[O-]

Technology Process of 2-(3-Methyl-2-nitrophenyl)acetonitrile

There total 7 articles about 2-(3-Methyl-2-nitrophenyl)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: 92.0%

: 55324-02-2
1-(bromomethyl)-3-methyl-2-nitrobenzene

: 151-50-8
potassium cyanide

: 91192-25-5
3-Methyl-2-nitrobenzyl cyanide

Guidance literature:: In ethanol; water; at 60 ℃; for 2h;

Reference yield: 35.0%

: 55324-02-2
1-(bromomethyl)-3-methyl-2-nitrobenzene

: 143-33-9,25596-52-5
sodium cyanide

: 91192-25-5
3-Methyl-2-nitrobenzyl cyanide

Guidance literature:: With trifluoroacetic acid; In dimethyl sulfoxide;
DOI:10.1055/s-1987-27989

Reference yield:

: 5437-38-7
3-methyl-2-nitrobenzoic acid

: 91192-25-5
3-Methyl-2-nitrobenzyl cyanide

Guidance literature:: Multi-step reaction with 3 steps

1: borane-THF / tetrahydrofuran / Inert atmosphere; Reflux

2: p-toluenesulfonyl chloride; dmap / dichloromethane / -5 - 20 °C / Inert atmosphere

3: water; ethanol / 60 °C / Inert atmosphere

With dmap; borane-THF; p-toluenesulfonyl chloride; In tetrahydrofuran; ethanol; dichloromethane; water;
DOI:10.1002/anie.202008631