3,4-Dimethylbenzoylacetonitrile

Base Information

Chemical Name:3,4-Dimethylbenzoylacetonitrile
CAS No.:884504-20-5
Molecular Formula:C11H11 N O
Molecular Weight:173.214
Hs Code.:2926909090
European Community (EC) Number:868-884-8
DSSTox Substance ID:DTXSID90606555
Nikkaji Number:J3.117.210A
Wikidata:Q82505356
Mol file:884504-20-5.mol

Synonyms:3,4-DIMETHYLBENZOYLACETONITRILE;884504-20-5;3-(3,4-dimethylphenyl)-3-oxopropanenitrile;MFCD02260786;SCHEMBL3591477;DTXSID90606555;FFWSHSVDWFTXCI-UHFFFAOYSA-N;AKOS000196038;CS-0239398;EN300-211848;G73589;Z317041996

Suppliers and Price of 3,4-Dimethylbenzoylacetonitrile

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
3,4-dimethylbenzoylacetonitrile
5mg
$ 45.00

Rieke Metals
3,4-Dimethylbenzoylacetonitrile 97%
5g
$ 744.00

Rieke Metals
3,4-Dimethylbenzoylacetonitrile 97%
1g
$ 239.00

Rieke Metals
3,4-Dimethylbenzoylacetonitrile 97%
2g
$ 366.00

Matrix Scientific
3,4-Dimethylbenzoylacetonitrile 97%
1g
$ 252.00

Matrix Scientific
3,4-Dimethylbenzoylacetonitrile 97%
2g
$ 364.00

Matrix Scientific
3,4-Dimethylbenzoylacetonitrile 97%
5g
$ 695.00

Crysdot
3-(3,4-Dimethylphenyl)-3-oxopropanenitrile 97%
10g
$ 463.00

American Custom Chemicals Corporation
3,4-DIMETHYLBENZOYLACETONITRILE 95.00%
10G
$ 2255.72

American Custom Chemicals Corporation
3,4-DIMETHYLBENZOYLACETONITRILE 95.00%
5G
$ 1503.81

Total 10 raw suppliers

Chemical Property of 3,4-Dimethylbenzoylacetonitrile

Chemical Property:

Vapor Pressure:6.66E-05mmHg at 25°C
Refractive Index:1.53
Boiling Point:344.3°C at 760 mmHg
Flash Point:162°C
PSA：40.86000
Density:1.06g/cm³
LogP:2.39978
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:173.084063974
Heavy Atom Count:13
Complexity:238

Purity/Quality:

97% ^*data from raw suppliers

3,4-dimethylbenzoylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethylbenzoylacetonitrile

There total 4 articles about 3,4-Dimethylbenzoylacetonitrile 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: 79.0%

: 18293-53-3
2-trimethylsilylacetonitrile

: 201230-82-2
carbon monoxide

: 31599-61-8
3,4-dimethyliodobenzene

: 884504-20-5
3-(3,4-dimethylphenyl)-3-oxopropanenitrile

Guidance literature:: With zinc(II) fluoride; (2-methylallyl)palladium-chloride dimer; copper(ll) bromide; In N,N-dimethyl-formamide; at 80 ℃; for 12h; under 7600.51 Torr;
DOI:10.1021/ol300035u

Reference yield: 68.0%

: 13138-21-1
diazoacetonitrile

: 5973-71-7
3,4-dimethylbenzaldehyde

: 884504-20-5
3-(3,4-dimethylphenyl)-3-oxopropanenitrile

Guidance literature:: With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃;
DOI:10.1002/ejoc.201402901

Reference yield: 64.0%

: 18293-53-3
2-trimethylsilylacetonitrile

: 31599-61-8
3,4-dimethyliodobenzene

: 13939-06-5,199620-15-0
molybdenum hexacarbonyl

: 884504-20-5
3-(3,4-dimethylphenyl)-3-oxopropanenitrile

Guidance literature:: With copper (II)-fluoride; bis-triphenylphosphine-palladium(II) chloride; In acetonitrile; at 80 ℃; for 16h;
DOI:10.1055/s-0032-1316760