2-(4-Methylbenzylidene)malononitrile

Base Information

• Chemical Name: 2-(4-Methylbenzylidene)malononitrile
• CAS No.: 2826-25-7
• Molecular Formula: C11H8 N2
• Molecular Weight: 168.198
• Hs Code.: 2926909090
• European Community (EC) Number: 878-802-2
• NSC Number: 98334
• DSSTox Substance ID: DTXSID00294826
• Nikkaji Number: J305.965K
• ChEMBL ID: CHEMBL4542704
• Mol file: 2826-25-7.mol

Synonyms:2-(4-Methylbenzylidene)malononitrile;2826-25-7;2-[(4-methylphenyl)methylidene]propanedinitrile;Toluene, 4-(2,2-dicyanoethenyl);2-(4-methylbenzylidene)-malononitrile;(4-methylbenzylidene)propanedinitrile;NSC98334;Maybridge1_007066;Propanedinitrile, [(4-methylphenyl)methylene]-;NCIOpen2_001684;SCHEMBL3369467;CHEMBL4542704;HMS561J04;DTXSID00294826;JIFVPBALUHDGEP-UHFFFAOYSA-N;CAA82625;MCK103295;MFCD00019789;NSC-98334;STK328371;4-METHYLBENZYLIDENEMALONONITRILE;AKOS001017407;2-(4-Methylbenzylidene)malononitrile #;CS-0318219;FT-0634508;M3410;6G-903;F72121;AE-848/00958033;Z44300073;F0192-0836

Chemical Property of 2-(4-Methylbenzylidene)malononitrile

Chemical Property:

• Vapor Pressure: 0.000538mmHg at 25°C
• Boiling Point: 312.2°Cat760mmHg
• Flash Point: 145.5°C
• PSA: 47.58000
• Density: 1.123g/cm³
• LogP: 2.42556
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.068748264
• Heavy Atom Count: 13
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Methylbenzylidene)malononitrile ^*data from reagent suppliers

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#N

Technology Process of 2-(4-Methylbenzylidene)malononitrile

There total 41 articles about 2-(4-Methylbenzylidene)malononitrile 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: 100.0%

4-methyl-benzaldehyde (104-87-0) + malononitrile (109-77-3) → 2-(4-methylbenzylidene)malononitrile (2826-25-7)

Guidance literature:

With L-arginine; at 20 ℃; for 0.0833333h; Ionic liquid;

DOI:10.3184/030823409X12615671424822

Reference yield: 90.0%

4-Methylbenzyl alcohol (589-18-4) + malononitrile (109-77-3) → 2-(4-methylbenzylidene)malononitrile (2826-25-7)

Guidance literature:

With Ni nanoparticle immobilized-sulfonated imidazolium-based ionic liquid-functionalized magnetic silica nanoparticles; air; In water; for 1h; Heating;

DOI:10.1002/aoc.4452

Reference yield: 90.0%

4-methylbenzaldehyde dimethylacetal (3395-83-3) + malononitrile (109-77-3) → 2-(4-methylbenzylidene)malononitrile (2826-25-7)

Guidance literature:

With Ni-Pd nanoparticles supported on poly (styrenesulfonic acid-n-vinylimidazole)/KIT-6; In water; at 45 ℃; for 0.833333h;

DOI:10.1002/aoc.4800

upstream raw materials:

4-methyl-benzaldehyde

malononitrile

p-tolylmethylenecyanothioacetamide

1-(N-phenylhydrazono)-1-chloropropanone

Downstream raw materials:

(4-methylbenzyl)malononitrile

Brom-(4-methyl-benzyl)-malodinitril

1-(p-Tolyl)-2,2-dicyan-penten-⁽⁴⁾

2-(p-tolyl)-1H-benzimidazole

Refernces

• 1、 Vereshchagin, Anatoly N.,Karpenko, Kirill A.,Elinson, Michail N.,Dorofeeva, Evgeniya O.,Goloveshkin, Alexander S.,Egorov, Mikhail P.. "Pseudo six-component stereoselective synthesis of 2,4,6-triaryl-3,3,5,5-tetracyanopiperidines". . p. 384 - 386. Retrieved 2018.
• 2、 Gupta, Padmini,Kumar, Lalita S.,Kumar, Yogesh,Shabir, Javaid. "Design and Development of Amine Functionalized Mesoporous Cubic Silica Particles: A Recyclable Catalyst for Knoevenagel Condensation". . . Retrieved 2021/07/28.
• 3、 Zhang, Ying-Ying,Liu, Qing,Zhang, Lin-Yan,Bao, Yu-Mei,Tan, Jing-Yi,Zhang, Na,Zhang, Jian-Yong,Liu, Zhen-Jiang. "MOFs assembled from C 3symmetric ligands: Structure, iodine capture and role as bifunctional catalysts towards the oxidation-Knoevenagel cascade reaction". . p. 647 - 659. Retrieved 2021/01/28.