Malononitrile, (3-phenyl-2-propynylidene)-

Base Information

Chemical Name:Malononitrile, (3-phenyl-2-propynylidene)-
CAS No.:13532-14-4
Molecular Formula:C12H6N2
Molecular Weight:178.1894
Hs Code.:
DSSTox Substance ID:DTXSID50159310
Nikkaji Number:J147.653J

Synonyms:BRN 2575899;MALONONITRILE, (3-PHENYL-2-PROPYNYLIDENE)-;3-Phenyl-2-propynylidenemalononitrile;13532-14-4;DTXSID50159310;LS-88999;(3-Phenyl-2-propyn-1-ylidene)malononitrile

Suppliers and Price of Malononitrile, (3-phenyl-2-propynylidene)-

Supply Marketing:

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

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Chemical Property of Malononitrile, (3-phenyl-2-propynylidene)-

Chemical Property:

Vapor Pressure:0.00118mmHg at 25°C
Boiling Point:299.7°Cat760mmHg
Flash Point:135.1°C
Density:1.16g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.053098200
Heavy Atom Count:14
Complexity:361

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Malononitrile, (3-phenyl-2-propynylidene)-

There total 2 articles about Malononitrile, (3-phenyl-2-propynylidene)- 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: 40.0%

: 2579-22-8
Phenylpropargyl aldehyde

: 109-77-3
malononitrile

: 13532-14-4
2-(3-phenylprop-2-yn-1-ylidene)malononitrile

Guidance literature:: With ammonium acetate; acetic acid; In toluene; for 2h; Dean-Stark; Schlenk technique; Inert atmosphere; Reflux;
DOI:10.1021/acs.joc.9b02243

Reference yield:

: 13532-14-4
2-(3-phenylprop-2-yn-1-ylidene)malononitrile

Guidance literature:: Phenylpropiolaldehyd, Malonsaeure in AcOH, Erhitzen;

Reference yield: 91.0%

: 13532-14-4
2-(3-phenylprop-2-yn-1-ylidene)malononitrile

: 138616-38-3
3-(phenylethynyl)-2-cyclohexen-1-one

: 1412791-42-4
C₂₆H₁₈N₂O

Guidance literature:: With (1R)-(6-methoxyquinolin-4-yl)((2R)-5-vinylquinuclidin-2-yl)methanamine; salicylic acid; In toluene; at 35 ℃; for 15h; regioselective reaction;
DOI:10.1021/ja3106219