5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile

Base Information

Chemical Name:5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile
CAS No.:61718-86-3
Molecular Formula:C12H10F3NO
Molecular Weight:241.21
Hs Code.:2926909090
DSSTox Substance ID:DTXSID40605997
Nikkaji Number:J3.575.324I
Wikidata:Q82504507

Synonyms:5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERONITRILE;61718-86-3;5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile;MFCD02260654;SCHEMBL7343509;DTXSID40605997;AKOS016019551;4-cyano-4'-trifluoromethylbutyrophenone;DB-296268

Suppliers and Price of 5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile

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

Rieke Metals
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 97%
1g
$ 366.00

Rieke Metals
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 97%
2g
$ 580.00

Rieke Metals
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 97%
5g
$ 1250.00

Matrix Scientific
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile
5g
$ 1165.00

Matrix Scientific
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile
2g
$ 576.00

Matrix Scientific
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile
1g
$ 385.00

Crysdot
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 95+%
1g
$ 381.00

Crysdot
5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 95+%
5g
$ 1156.00

American Custom Chemicals Corporation
5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERONITRILE 95.00%
10G
$ 3031.88

American Custom Chemicals Corporation
5-OXO-5-(4-TRIFLUOROMETHYLPHENYL)VALERONITRILE 95.00%
5G
$ 1988.91

Total 6 raw suppliers

Chemical Property of 5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile

Chemical Property:

Vapor Pressure:2.13E-05mmHg at 25°C
Boiling Point:361°C at 760 mmHg
Flash Point:172.1°C
PSA：40.86000
Density:1.222g/cm³
LogP:3.58198
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:241.07144843
Heavy Atom Count:17
Complexity:307

Purity/Quality:

95% ^*data from raw suppliers

5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=O)CCCC#N)C(F)(F)F

Technology Process of 5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile

There total 6 articles about 5-Oxo-5-(4-trifluoromethylphenyl)valeronitrile 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%

: 19158-51-1
P-toluenesulfonyl cyanide

: 29480-10-2
1-(4-(trifluoromethyl)phenyl)cyclobutan-1-ol

: 61718-86-3
5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile

Guidance literature:: With [2,2]bipyridinyl; [bis(acetoxy)iodo]benzene; manganese(III) triacetate dihydrate; In acetonitrile; at 25 ℃; for 2h; Inert atmosphere;
DOI:10.1002/anie.201510973

Reference yield: 60.0%

: tert-butyl (4-cyanobutanoyl)(pyridin-2-yl)carbamate

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 61718-86-3
5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile

Guidance literature:: With palladium diacetate; potassium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 70 ℃; for 8h; Inert atmosphere;
DOI:10.1002/ejoc.201901396

Reference yield: 43.0%

: 544-13-8
Glutaronitrile

: 128796-39-4
4-trifluoromethylphenylboronic acid

: 61718-86-3
5-oxo-5-[4-(trifluoromethyl)phenyl]pentanenitrile

Guidance literature:: With [2,2]bipyridinyl; palladium(II) acetylacetonate; toluene-4-sulfonic acid; In water; toluene; at 80 ℃; for 24h; Schlenk technique;
DOI:10.1021/acs.joc.9b02999