Cinnamylidenemalononitrile

Base Information

Chemical Name:Cinnamylidenemalononitrile
CAS No.:5439-39-4
Molecular Formula:C12H8 N2
Molecular Weight:180.209
Hs Code.:2926909090
NSC Number:15107
DSSTox Substance ID:DTXSID10417827
Nikkaji Number:J1.438.468E,J995.678F
Mol file:5439-39-4.mol

Synonyms:5439-39-4;1,1-Dicyano-4-phenylbutadiene;Cinnamylidenemalononitrile;2-[(E)-3-phenylprop-2-enylidene]propanedinitrile;NSC15107;ST50996831;SCHEMBL9417087;(3-Phenylallylidene)malononitrile;DTXSID10417827;MFCD01578804;NSC-15107;AKOS002951933;(E)-2-(3-Phenylallylidene)malononitrile;trans-1,1-dicyano-4-phenyl-1,3-butadiene;2-[(2E)-3-phenyl-2-propenylidene]malononitrile;2-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]PROPANEDINITRILE

Suppliers and Price of Cinnamylidenemalononitrile

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

SynQuest Laboratories
1,1-Dicyano-4-phenylbutadiene
250 mg
$ 48.00

SynQuest Laboratories
1,1-Dicyano-4-phenylbutadiene
1 g
$ 148.00

Apolloscientific
1,1-Dicyano-4-phenylbutadiene 98%
1g
$ 134.00

Apolloscientific
1,1-Dicyano-4-phenylbutadiene 98%
250mg
$ 44.00

Total 9 raw suppliers

Chemical Property of Cinnamylidenemalononitrile

Chemical Property:

Vapor Pressure:2.63E-05mmHg at 25°C
Boiling Point:358°Cat760mmHg
Flash Point:173.4°C
PSA：47.58000
Density:1.125g/cm³
LogP:2.67336
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:180.068748264
Heavy Atom Count:14
Complexity:308

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dicyano-4-phenylbutadiene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=CC=C(C#N)C#N
Isomeric SMILES:C1=CC=C(C=C1)/C=C/C=C(C#N)C#N

Technology Process of Cinnamylidenemalononitrile

There total 4 articles about Cinnamylidenemalononitrile 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:

: 4407-36-7
(2E)-3-phenyl-2-propen-1-ol

: 5439-39-4
1,1-dicyano-4-phenylbuta-1,3-diene

Guidance literature:: Multi-step reaction with 2 steps

1: [bis(acetoxy)iodo]benzene / acetonitrile / 5 h / 20 °C

2: (2,2,6,6-tetramethylpiperidin-1-yl)oxyl containing Pd-organic cages within amino-functionalized mesoporous carbon / acetonitrile / 0.33 h / 60 °C

With [bis(acetoxy)iodo]benzene; In acetonitrile; 2: |Knoevenagel Condensation;
DOI:10.1016/j.chempr.2020.06.038

Reference yield:

: 104-54-1
3-Phenylpropenol

: 5439-39-4
1,1-dicyano-4-phenylbuta-1,3-diene

Guidance literature:: Multi-step reaction with 2 steps

1: copper(I) bromide; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; dimethyl 3-methyl-9-oxo-7-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo-[3.3.1]nonane-1,5-dicarboxylate / water / 13 h / 20 °C / Green chemistry

2: dimethyl 3-methyl-9-oxo-7-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo-[3.3.1]nonane-1,5-dicarboxylate / water / 2 h / 40 °C

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; dimethyl 3-methyl-9-oxo-7-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-2,4-di(pyridin-2-yl)-3,7-diazabicyclo-[3.3.1]nonane-1,5-dicarboxylate; copper(I) bromide; In water; 2: |Knoevenagel Condensation;
DOI:10.1039/c5ra17093a