Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate)

Base Information

Chemical Name:Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate)
CAS No.:40912-18-3
Molecular Formula:C₁₄H₁₂N₂O₄
Molecular Weight:272.26
Hs Code.:
DSSTox Substance ID:DTXSID101244642

Synonyms:DIMETHYL 2,2'-(1,4-PHENYLENE)BIS(2-CYANOACETATE);DTXSID101244642;AKOS024406179;40912-18-3;1,4-Dimethyl alpha1,alpha4-dicyano-1,4-benzenediacetate

Suppliers and Price of Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate)

Supply Marketing:

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

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Chemical Property of Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate)

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:272.07970687
Heavy Atom Count:20
Complexity:418

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C(C#N)C1=CC=C(C=C1)C(C#N)C(=O)OC

Technology Process of Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate)

There total 2 articles about Dimethyl 2,2'-(1,4-phenylene)bis(2-cyanoacetate) 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: 65.0%

: 622-75-3
1,4-phenylenediacetonitrile

: 616-38-6
carbonic acid dimethyl ester

: 40912-18-3
Cyano-[4-(cyano-methoxycarbonyl-methyl)-phenyl]-acetic acid methyl ester

Guidance literature:: In 1,2-dimethoxyethane;
DOI:10.1246/cl.1982.517

Reference yield:

: 623-25-6
p-Xylylene dichloride

: 40912-18-3
Cyano-[4-(cyano-methoxycarbonyl-methyl)-phenyl]-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / aq. ethanol; dioxane

2: 65 percent / 1,2-dimethoxy-ethane

In 1,4-dioxane; 1,2-dimethoxyethane; ethanol;
DOI:10.1246/cl.1982.517