Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate

Base Information

• Chemical Name: Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate
• CAS No.: 68516-73-4
• Deprecated CAS: 77465-46-4,247909-27-9,1253196-98-3,904704-89-8,1803110-64-6,1430215-82-9
• Molecular Formula: C₃₄H₃₂N₆O₁₂
• Molecular Weight: 716.661
• European Community (EC) Number: 271-176-6,616-460-6
• UNII: KAP5SY1MAB
• DSSTox Substance ID: DTXSID10276077,DTXSID20867657
• Nikkaji Number: J62.474H
• Mol file: 68516-73-4.mol

Synonyms:68516-73-4;KAP5SY1MAB;UNII-KAP5SY1MAB;EINECS 271-176-6;77465-46-4;dimethyl 2-[[1-[4-[[2-[[2,5-bis(methoxycarbonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate;TETRAMETHYL 2,2'-[1,4-PHENYLENEBIS[IMINO(1-ACETYL-2-OXOETHANE-1,2-DIYL)AZO]]BISTEREPHTHALATE;EC 271-176-6;1,4-Benzenedicarboxylic acid, 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl))bis-, 1,1',4,4'-tetramethyl ester;247909-27-9;N,N'-p-Phenylenebis(2-(2,5-dicarbomethoxyphenyl)azo)acetoacetamide;Tetramethyl 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bisterephthalate;Tetramethyl 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxoethane-1,2-diyl)azo))bisterephthalate;Tetramethyl 2,2'-1,4-phenylenebisimino(1-Acetyl-2-oxoethane-1,2-diyl)azobisterephthalate;1,4-Benzenedicarboxylic acid, 2,2'-(1,4-phenylenebis(imino(1-acetyl-2-oxo-2,1-ethanediyl)azo))bis-, tetramethyl ester;1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester;1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester;Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bisterephthalate;SCHEMBL8442183;SCHEMBL8442191;DTXSID10276077;DTXSID20867657;C34H32N6O12;C34-H32-N6-O12;CI 200310;C.I. 200310;W-111360;Q27282153;1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino( 1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester;Tetramethyl 2,2'-{1,4-phenylenebis[azanediyl(1,3-dioxobutane-1,2-diyl)(E)diazene-2,1-diyl]}di(benzene-1,4-dicarboxylate)

Chemical Property of Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate

Chemical Property:

• Appearance/Colour: powder
• Boiling Point: 886.4 °C at 760 mmHg
• Flash Point: 489.9 °C
• PSA: 246.98000
• Density: 1.37 g/cm³
• LogP: 4.33900
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 18
• Exact Mass: 716.20782048
• Heavy Atom Count: 52
• Complexity: 1310

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)N=NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC

Technology Process of Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate

There total 2 articles about Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate 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:

1,4-bis-(acetoacetylamino)-benzene (24731-73-5,345950-01-8) + dimethyl aminoterephthalate hydrochloride → 2,2'-[1,4-phenylene-bis[imino-1-acetyl-2-oxo-2,1-ethanediyl-azo]]bis-1,4-benzenedicarboxylic acid tetramethyl ester (68516-73-4,77465-46-4)

Guidance literature:

dimethyl aminoterephthalate hydrochloride; With sodium nitrite; at 0 - 10 ℃;

1,4-bis-(acetoacetylamino)-benzene; at 20 - 95 ℃; Product distribution / selectivity; Aqueous acetate buffer;

Reference yield:

dimethyl aminoterephthalate (5372-81-6) + 1,4-bis-(acetoacetylamino)-benzene (24731-73-5,345950-01-8) → 2,2'-[1,4-phenylene-bis[imino-1-acetyl-2-oxo-2,1-ethanediyl-azo]]bis-1,4-benzenedicarboxylic acid tetramethyl ester (68516-73-4,77465-46-4)

Guidance literature:

DOI:10.1016/j.molstruc.2018.06.108

upstream raw materials:

1,4-bis-(acetoacetylamino)-benzene

dimethyl aminoterephthalate

Refernces

• 1、 -. "Method of conditioning azo pigments containing carboxylic ester groups". Page/Page column 3. . Retrieved 2009/08/16.