Malononitrile, (2,4-dimethoxybenzylidene)-

Base Information

• Chemical Name: Malononitrile, (2,4-dimethoxybenzylidene)-
• CAS No.: 2972-78-3
• Molecular Formula: C12H10 N2 O2
• Molecular Weight: 214.224
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30183870
• Nikkaji Number: J41.621E
• Mol file: 2972-78-3.mol

Synonyms:2972-78-3;MALONONITRILE, (2,4-DIMETHOXYBENZYLIDENE)-;2-[(2,4-dimethoxyphenyl)methylidene]propanedinitrile;BRN 2695605;2,4-Dimethoxybenzylidenemalononitrile;(2,4-dimethoxybenzylidene)propanedinitrile;(2,4-Dimethoxybenzylidene)malononitrile;2-(2,4-Dimethoxybenzylidene)propanedinitrile;1-10-00-00278 (Beilstein Handbook Reference);CBMicro_011422;Oprea1_232095;Oprea1_677549;SCHEMBL3370571;DTXSID30183870;SMSF0003897;MCK103042;MFCD00449703;STL140783;AKOS000519641;CB14901;UPCMLD0ENAT5397509:001;LS-88917;BIM-0011454.P001;2-(2,4-dimethoxybenzylidene) malononitrile;Propanedinitrile, [(2,4-dimethoxyphenyl)methylene]-;Z44300028;F6782-3635

Chemical Property of Malononitrile, (2,4-dimethoxybenzylidene)-

Chemical Property:

• Vapor Pressure: 2.12E-06mmHg at 25°C
• Boiling Point: 393.5°C at 760 mmHg
• Flash Point: 163.8°C
• PSA: 66.04000
• Density: 1.18g/cm³
• LogP: 2.13436
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 214.074227566
• Heavy Atom Count: 16
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C=C(C#N)C#N)OC

Technology Process of Malononitrile, (2,4-dimethoxybenzylidene)-

There total 3 articles about Malononitrile, (2,4-dimethoxybenzylidene)- 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%

2,4-Dimethoxybenzaldehyde (613-45-6) + malononitrile (109-77-3) → 2-(2,4-dimethoxybenzylidene)malononitrile (2972-78-3)

Guidance literature:

In ethanol; water; at 75 ℃; for 0.416667h;

DOI:10.21577/0103-5053.20170240

Reference yield:

2-[Butylsulfanyl-(2,4-dimethoxy-phenyl)-methyl]-malononitrile → n-butanethiol (109-79-5) + 2-(2,4-dimethoxybenzylidene)malononitrile (2972-78-3)

Guidance literature:

at 25 ℃; Equilibrium constant;

DOI:10.1139/v68-128

Reference yield:

→ 2-(2,4-dimethoxybenzylidene)malononitrile (2972-78-3)

Guidance literature:

DOI:10.1139/v67-166 DOI:10.1139/v65-355

upstream raw materials:

2,4-Dimethoxybenzaldehyde

malononitrile

Downstream raw materials:

6-Amino-4-(2,4-dimethoxy-phenyl)-3-methyl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile