Tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate

Base Information

• Chemical Name: Tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate
• CAS No.: 349098-14-2
• Molecular Formula: C28H24N2O10
• Molecular Weight: 548.506
• DSSTox Substance ID: DTXSID201123241
• Nikkaji Number: J1.634.205J
• ChEMBL ID: CHEMBL364652
• Mol file: 349098-14-2.mol

Synonyms:Oprea1_660160;CHEMBL364652;DTXSID201123241;AKOS003885904;tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate;1,1',3,3'-Tetramethyl 5,5'-[1,4-phenylenebis(carbonylimino)]bis[1,3-benzenedicarboxylate];5,5'-[(1,4-Phenylene)biscarbonylbisimino]bis(isophthalic acid dimethyl) ester;349098-14-2

Chemical Property of Tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 548.14309497
• Heavy Atom Count: 40
• Complexity: 837

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate

There total 4 articles about Tetramethyl 5,5'-(terephthaloylbis(azanediyl))-diisophthalate 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%

dimethyl 5-aminoisophthalate (99-27-4) + terephthaloyl chloride (100-20-9) → tetramethyl 5,5'-[terephthaloylbis(azanediyl)]diisophthalate (349098-14-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1021/jm049922t

Reference yield: 94.0%

→ tetramethyl 5,5'-[terephthaloylbis(azanediyl)]diisophthalate (349098-14-2)

Guidance literature:

Reference yield:

5-aminoisophthalic acid (99-31-0) → tetramethyl 5,5'-[terephthaloylbis(azanediyl)]diisophthalate (349098-14-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: triethylamine / dichloromethane / 48 h / 20 °C

With sulfuric acid; triethylamine; In dichloromethane;

DOI:10.1039/c2cc30497j

upstream raw materials:

dimethyl 5-aminoisophthalate

terephthaloyl chloride

terephthalic acid

5-aminoisophthalic acid

Downstream raw materials:

C₂₄H₂₄N₁₀O₆

N,N'-bis(3,5-bis(2-(2-hydroxybenzylidene)hydrazinecarbonyl)phenyl) terephthalamide

bis(3,5-dkicarboxy-phenyl)terephthalamide