alpha-Benzoyl-4-methylcinnamonitrile

Base Information

Chemical Name:alpha-Benzoyl-4-methylcinnamonitrile
CAS No.:25364-68-5
Molecular Formula:C17H13NO
Molecular Weight:247.296
Hs Code.:
European Community (EC) Number:660-273-2
NSC Number:637345
Nikkaji Number:J1.499.764D,J2.444.005B
ChEMBL ID:CHEMBL4548011
Mol file:25364-68-5.mol

Synonyms:NSC637345;MLS003389193;CHEMBL4548011;alpha-Benzoyl-4-methylcinnamonitrile;AKOS003951625;NSC-637345;2-Benzoyl-3-(4-methylphenyl)acrylonitrile;(E)-2-benzoyl-3-(p-tolyl)prop-2-enenitrile;(E)-2-Benzoyl-3-(4-methylphenyl)acrylonitrile

Suppliers and Price of alpha-Benzoyl-4-methylcinnamonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of alpha-Benzoyl-4-methylcinnamonitrile

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:247.099714038
Heavy Atom Count:19
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2
Isomeric SMILES:CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2

Technology Process of alpha-Benzoyl-4-methylcinnamonitrile

There total 3 articles about alpha-Benzoyl-4-methylcinnamonitrile 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: 61.0%

: 613-90-1
benzoyl cyanide

: 766-97-2
4-n-methylphenylacetylene

: 25364-68-5,101220-24-0
(E)-1-benzoyl-2-(4-methylphenyl)-1-etheneyl cyanide

: 180585-48-2
(Z)-4-oxo-4-phenyl-2-(p-tolyl)but-2-enenitrile

Guidance literature:: With palladium diacetate; triphenylphosphine; 1,4-di(diphenylphosphino)-butane; In 1,2-dichloro-ethane; at 70 ℃; for 65h; Yields of byproduct given;
DOI:10.1246/bcsj.69.1629

Reference yield: 56.0%

: 203861-67-0
(Z)-N-(4-methylbenzylidene)methylamine N-oxide

: 614-16-4
Benzoylacetonitrile

: 25364-68-5,101220-24-0
(E)-1-benzoyl-2-(4-methylphenyl)-1-etheneyl cyanide

Guidance literature:: With silica gel; at 80 ℃; for 2h; microwave irradiation;
DOI:10.1021/jo061659b

Reference yield:

: 104-87-0
4-methyl-benzaldehyde

: 614-16-4
Benzoylacetonitrile

: 25364-68-5
α-benzoyl-p-methylcinnamonitrile

Guidance literature:: With piperidine; In toluene; at 80 ℃; for 8h; Molecular sieve; Inert atmosphere;
DOI:10.1002/ejoc.201601575 DOI:10.1002/ejoc.201701238