3-Propanoylbenzonitrile

Base Information

Chemical Name:3-Propanoylbenzonitrile
CAS No.:50916-34-2
Molecular Formula:C10H9NO
Molecular Weight:159.188
Hs Code.:
European Community (EC) Number:868-544-9
Nikkaji Number:J815.084B
Mol file:50916-34-2.mol

Synonyms:3-Propanoylbenzonitrile;50916-34-2;1-(3-Cyanophenyl)propan-1-one;3-Propionyl-benzonitrile;SCHEMBL2310105;RQNDMQXNIOALFA-UHFFFAOYSA-N;MFCD11934421;AKOS015948331;EN300-345796;F74307;Z1255396281

Suppliers and Price of 3-Propanoylbenzonitrile

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-Propanoylbenzonitrile
1g
$ 1400.00

TRC
3-Propanoylbenzonitrile
500mg
$ 795.00

SynChem
3-Propionyl-benzonitrile 95+%
5 g
$ 750.00

SynChem
3-Propionyl-benzonitrile 95+%
1 g
$ 250.00

Rieke Metals
3-Propionyl-benzonitrile
5g
$ 1728.00

Rieke Metals
3-Propionyl-benzonitrile
1g
$ 527.00

AK Scientific
3-Propanoylbenzonitrile
1g
$ 696.00

Total 4 raw suppliers

Chemical Property of 3-Propanoylbenzonitrile

Chemical Property:

PSA：40.86000
LogP:2.15098
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Heavy Atom Count:12
Complexity:213

Purity/Quality:

98%min ^*data from raw suppliers

3-Propanoylbenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(=O)C1=CC=CC(=C1)C#N
Uses 3-propanoylbenzonitrile is used in the preparation of pyrimidinediones as apelin receptor agonists.

Technology Process of 3-Propanoylbenzonitrile

There total 9 articles about 3-Propanoylbenzonitrile 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: 94.0%

: potassiumhexacyanoferrate(II) trihydrate

: 34841-35-5
3'-chloro-propiophenone

: 50916-34-2
3-propionylbenzonitrile

Guidance literature:: With 2-[2-(dicyclohexylphosphino)-phenyl]-1-methyl-1H-indole; palladium diacetate; sodium carbonate; triethylamine; In water; acetonitrile; at 70 ℃; for 18h;
DOI:10.1021/ol1028892

Reference yield: 86.0%

: 19829-31-3
1-(3-bromophenyl)-1-propanone

: 544-92-3
copper(I) cyanide

: 50916-34-2
3-propionylbenzonitrile

Guidance literature:: In N,N-dimethyl-formamide; for 6h; Heating;
DOI:10.1016/S0040-4020(01)80835-8

Reference yield: 78.0%

: C₁₀H₁₀N₄

: 50916-34-2
3-propionylbenzonitrile

Guidance literature:: C₁₀H₁₀N₄; With sodium hydride; In dimethyl sulfoxide; mineral oil; at 20 ℃; for 4h; Inert atmosphere;

With water; In dimethyl sulfoxide; mineral oil; for 0.25h; Inert atmosphere;
DOI:10.1039/c6ra13088g