4-n-Propylbenzoylacetonitrile

Base Information

Chemical Name:4-n-Propylbenzoylacetonitrile
CAS No.:199102-69-7
Molecular Formula:C12H13NO
Molecular Weight:187.241
Hs Code.:2926909090
DSSTox Substance ID:DTXSID90366400
Wikidata:Q82151599
Mol file:199102-69-7.mol

Synonyms:4-n-Propylbenzoylacetonitrile;199102-69-7;3-oxo-3-(4-propylphenyl)propanenitrile;3-Oxo-3-(4-propyl-phenyl)-propionitrile;Enamine_005194;SCHEMBL5793959;DTXSID90366400;HMS1408M02;MFCD02260780;AKOS000116594;IDI1_007781;BS-50610;CS-0152419;EN300-04455;E76392;J-012860;Z56886461;1040724-13-7

Suppliers and Price of 4-n-Propylbenzoylacetonitrile

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
4-n-Propylbenzoylacetonitrile
50mg
$ 90.00

Rieke Metals
4-n-PROPYLBENZOYLACETONITRILE
5g
$ 1943.00

Rieke Metals
4-n-Propylbenzoylacetonitrile 97%
2g
$ 366.00

Rieke Metals
4-n-PROPYLBENZOYLACETONITRILE
1g
$ 809.00

Rieke Metals
4-n-Propylbenzoylacetonitrile 97%
5g
$ 744.00

Rieke Metals
4-n-Propylbenzoylacetonitrile 97%
1g
$ 239.00

Matrix Scientific
4-n-Propylbenzoylacetonitrile
1g
$ 126.00

Matrix Scientific
4-n-Propylbenzoylacetonitrile
2g
$ 182.00

Matrix Scientific
4-n-Propylbenzoylacetonitrile
5g
$ 348.00

Labseeker
3-OXO-3-(4-PROPYL-PHENYL)-PROPIONITRILE 95
25g
$ 2842.00

Total 6 raw suppliers

Chemical Property of 4-n-Propylbenzoylacetonitrile

Chemical Property:

Vapor Pressure:3.83E-05mmHg at 25°C
Boiling Point:352.5°C at 760 mmHg
Flash Point:167°C
PSA：40.86000
Density:1.039g/cm³
LogP:2.73548
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:187.099714038
Heavy Atom Count:14
Complexity:230

Purity/Quality:

99% ^*data from raw suppliers

4-n-Propylbenzoylacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC1=CC=C(C=C1)C(=O)CC#N

Technology Process of 4-n-Propylbenzoylacetonitrile

There total 2 articles about 4-n-Propylbenzoylacetonitrile 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:

: 2932-65-2
1-(4-propylphenyl)ethan-1-one

: 199102-69-7
3-oxo-3-(4-propylphenyl)propanenitrile

Guidance literature:: Multi-step reaction with 2 steps

1: copper(ll) bromide / ethyl acetate / Reflux

2: ethanol; water / 16 h / Cooling with ice

With copper(ll) bromide; In ethanol; water; ethyl acetate;
DOI:10.1021/acs.jmedchem.0c01152