1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester

Base Information

• Chemical Name: 1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester
• CAS No.: 64754-35-4
• Molecular Formula: C12H8N2O4
• DSSTox Substance ID: DTXSID001334185

Synonyms:64754-35-4;1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester;Dimethyl 4,5-dicyanophthalate;DTXSID001334185

Chemical Property of 1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 244.04840674
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester

There total 1 articles about 1,2-Benzenedicarboxylic acid, 4,5-dicyano-, dimethyl ester 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:

→ dimethyl 4,5-dicyanophthalate (64754-35-4)

Guidance literature:

2,3-Dicyano-1,3-butadien, Dimethyl-acetylendicarboxylat;

DOI:10.1021/jo00399a027

Reference yield:

4,5-bis(2',6'-di-iso-propylphenoxy)phthalonitrile + pentan-1-ol (71-41-0) + dimethyl 4,5-dicyanophthalate (64754-35-4) + zinc diacetate (557-34-6) + sodium hydroxide (1310-73-2) → C106H110N8O10Zn(2-)*2Na(1+)

Guidance literature:

4,5-bis(2',6'-di-iso-propylphenoxy)phthalonitrile; pentan-1-ol; dimethyl 4,5-dicyanophthalate; zinc diacetate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; Reflux; Inert atmosphere;

sodium hydroxide; In tetrahydrofuran; methanol; water; at 40 ℃; for 1.5h; Inert atmosphere;

DOI:10.3390/molecules27020524

Reference yield:

pentan-1-ol (71-41-0) + 4-chloro-5-(2,6-di-iso-propylphenoxy)phthalonitrile (1393828-07-3) + dimethyl 4,5-dicyanophthalate (64754-35-4) + zinc diacetate (557-34-6) + sodium hydroxide (1310-73-2) → C70H59Cl3N8O7Zn(2-)*2Na(1+)

Guidance literature:

pentan-1-ol; 4-chloro-5-(2,6-di-iso-propylphenoxy)phthalonitrile; dimethyl 4,5-dicyanophthalate; zinc diacetate; With 1,8-diazabicyclo[5.4.0]undec-7-ene; Reflux; Inert atmosphere;

sodium hydroxide; In tetrahydrofuran; methanol; water; at 40 ℃; for 1.5h; Inert atmosphere;

DOI:10.3390/molecules27020524

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