Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate

Base Information

• Chemical Name: Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate
• CAS No.: 24260-55-7
• Molecular Formula: C10H12N2O4
• Molecular Weight: 224.216
• DSSTox Substance ID: DTXSID90708866
• Nikkaji Number: J3.469.968B
• Wikidata: Q82643463
• Mol file: 24260-55-7.mol

Synonyms:24260-55-7;Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate;dimethyl 2,5-diaminoterephthalate;SCHEMBL4758833;DTXSID90708866;2,5-Diamino-1,4-benzenedicarboxylic acid dimethyl ester

Chemical Property of Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate

Chemical Property:

• Melting Point: 185 °C
• Boiling Point: 403.4±40.0 °C(Predicted)
• PSA: 104.64000
• Density: 1.320±0.06 g/cm3(Predicted)
• LogP: 1.58660
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 224.07970687
• Heavy Atom Count: 16
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1N)C(=O)OC)N

Technology Process of Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate

There total 6 articles about Dimethyl 2,5-diaminobenzene-1,4-dicarboxylate 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: 36.0%

dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate (6289-46-9) + phenylhydrazine (100-63-0) → 2,5-diamino-terephthalic acid dimethyl ester (24260-55-7)

Guidance literature:

With acetic acid; at 40 ℃; for 2h;

DOI:10.1039/d1dt03652a

Reference yield:

dimethyl 2-amino-5-(formylamino)benzene-1,4-dicarboxylate (1039454-96-0) → 2,5-diamino-terephthalic acid dimethyl ester (24260-55-7)

Guidance literature:

dimethyl 2-amino-5-(formylamino)benzene-1,4-dicarboxylate; With hydrogenchloride; methanol; at 20 ℃; for 96h;

With water; sodium hydrogencarbonate; In methanol; at 0 ℃; pH=8;

Reference yield:

dimethyl 2-amino-5-nitroterephthalate (177284-15-0) → 2,5-diamino-terephthalic acid dimethyl ester (24260-55-7)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

upstream raw materials:

2,5-diamino-cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester

dimethyl 2-amino-5-nitroterephthalate

dimethyl-2-acetamido-5-nitroterephthalate

dimethyl 2-amino-5-(formylamino)benzene-1,4-dicarboxylate