Propanedinitrile, ((2,6-dichlorophenyl)methylene)-

Base Information

• Chemical Name: Propanedinitrile, ((2,6-dichlorophenyl)methylene)-
• CAS No.: 2972-79-4
• Molecular Formula: C10H4 Cl2 N2
• Molecular Weight: 223.061
• Hs Code.: 2926909090
• NSC Number: 98314
• UNII: 6SLM7EG4PZ
• DSSTox Substance ID: DTXSID90183871
• Nikkaji Number: J2.282.010I
• Mol file: 2972-79-4.mol

Synonyms:2972-79-4;Propanedinitrile, ((2,6-dichlorophenyl)methylene)-;2-[(2,6-dichlorophenyl)methylidene]propanedinitrile;(2,6-dichlorobenzylidene)malononitrile;6SLM7EG4PZ;2-(2,6-dichlorobenzylidene)malononitrile;((2,6-Dichlorophenyl)methylene)propanedinitrile;NSC 98314;NSC-98314;Propanedinitrile, 2-[(2,6-dichlorophenyl)methylene]-;NSC98314;starbld0005097;UNII-6SLM7EG4PZ;NCIOpen2_006646;SCHEMBL6839476;DTXSID90183871;2,6-dichlorobenzylidene malononitrile;MCK102972;MFCD00120243;AKOS002951930;AS-9501

Chemical Property of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Boiling Point: 365.2°Cat760mmHg
• Flash Point: 163.9°C
• PSA: 47.58000
• Density: 1.417g/cm³
• LogP: 3.42396
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 221.9751535
• Heavy Atom Count: 14
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

(2,6-Dichlorobenzylidene)malononitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propanedinitrile, ((2,6-dichlorophenyl)methylene)-

There total 3 articles about Propanedinitrile, ((2,6-dichlorophenyl)methylene)- 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: 99.0%

2,6-dichlorobenzaldehyde (83-38-5) + malononitrile (109-77-3) → 2-(2,6-dichlorobenzylidene)malononitrile (2972-79-4)

Guidance literature:

In water; at 20 ℃; for 0.166667h; Green chemistry;

DOI:10.1016/j.molstruc.2020.129451

Reference yield: 94.0%

malononitrile (109-77-3) + 2,6-dichlorobenzaldehyde dimethyl acetal → 2-(2,6-dichlorobenzylidene)malononitrile (2972-79-4)

Guidance literature:

With Ni-Pd nanoparticles supported on poly (styrenesulfonic acid-n-vinylimidazole)/KIT-6; In water; at 45 ℃; for 1.16667h;

DOI:10.1002/aoc.4800

Reference yield:

2-[Butylsulfanyl-(2,6-dichloro-phenyl)-methyl]-malononitrile → n-butanethiol (109-79-5) + 2-(2,6-dichlorobenzylidene)malononitrile (2972-79-4)

Guidance literature:

at 25 ℃; Equilibrium constant;

DOI:10.1139/v68-128

upstream raw materials:

2,6-dichlorobenzaldehyde

malononitrile

Downstream raw materials:

3-chloro-5-(2,6-dichlorophenyl)-4-isothiazolecarbonitrile

2,7-diamino-5-(2,6-dichlorophenyl)-4,5-dihydro-pyrazolo<1,5-a>pyrimidine-3,6-dicarbonitrile

(2R,3R,8aS)-1,1,6-Tricyano-2-(2,6-dichloro-phenyl)-1,2,3,8a-tetrahydro-indolizine-3-carboxylic acid amide

7-amino-5-(2,6-dichlorophenyl)-2(4-morpholinyl)-4,5-dihydro-pyrazolo<1,5-a>pyrimidine-3,6-dicarbonitrile

Refernces

• 1、 Shaheen, Mennatallah A.,El-Emam, Ali A.,El-Gohary, Nadia S.. "Design, synthesis and biological evaluation of new series of hexahydroquinoline and fused quinoline derivatives as potent inhibitors of wild-type EGFR and mutant EGFR (L858R and T790M)". . . Retrieved 2020.
• 2、 Basude, Manohar,Bhongiri, Yadagiri,Masula, Keshavulu,Pasala, Vijay Kumar,Puppala, Veerasomaiah,Sunkara, Prasad. "Highly active zinc oxide-supported lithium oxide catalyst for solvent-free Knoevenagel condensation". . . Retrieved 2021/07/09.