Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate
• CAS No.: 15403-48-2
• Molecular Formula: C10H12 N2 O4
• Molecular Weight: 224.216
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30363832
• Nikkaji Number: J3.422.624E
• Wikidata: Q82147581
• Mol file: 15403-48-2.mol

Synonyms:Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate;15403-48-2;4,6-Diamino-1,3-benzenedicarboxylic acid dimethyl ester;SCHEMBL5692887;DTXSID30363832;MFCD04038592;4,6-Diaminoisophthalic acid dimethyl ester

Chemical Property of Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 7.7E-08mmHg at 25°C
• Refractive Index: 1.602
• Boiling Point: 437.1°Cat760mmHg
• Flash Point: 241.3°C
• PSA: 104.64000
• Density: 1.32g/cm³
• 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: 256

Purity/Quality:

97% ^*data from raw suppliers

4,6-DIAMINO-1,3-BENZENEDICARBOXYLIC ACID DIMETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dimethyl 4,6-diaminobenzene-1,3-dicarboxylate

There total 3 articles about Dimethyl 4,6-diaminobenzene-1,3-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: 97.0%

dimethyl 4,6-dibenzylaminoisophthalate → dimethyl 4,6-diaminoisophthalate (15403-48-2)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In ethanol; for 46h;

DOI:10.1021/ja0712017

Reference yield:

N,N'-(4,6-dimethyl-m-phenylene)-bis-acetamide (38847-61-9) → dimethyl 4,6-diaminoisophthalate (15403-48-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium permanganate

2: hydrogen chloride

With hydrogenchloride; potassium permanganate;

Reference yield:

4,6-bis-acetylamino-isophthalic acid (47074-48-6) → dimethyl 4,6-diaminoisophthalate (15403-48-2)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

4,6-bis-acetylamino-isophthalic acid

N,N'-(4,6-dimethyl-m-phenylene)-bis-acetamide

Downstream raw materials:

2,2'-(4,6-diamino-m-phenylene)-bis-propan-2-ol

13-[2,4-diamino-5-(1-dodecyl-1-hydroxy-tridecyl)-phenyl]-pentacosan-13-ol