diMethyl 2-aMinoisophthalate

Base Information

• Chemical Name: diMethyl 2-aMinoisophthalate
• CAS No.: 57053-02-8
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID90480933
• Wikidata: Q82316085
• Mol file: 57053-02-8.mol

Synonyms:1,3-Benzenedicarboxylic acid,2-amino-,dimethyl ester;dimethyl 2-amino-1,3-benzenedicarboxylate;dimethyl 2-aminoisophthalate;2-Amino-isophthalsaeure-dimethylester;2-amino-1,3-benzenedicarboxylic acid,dimethyl ester;dimethyl 2-aminoisophtalate;aminoisophthalic acid dimethyl ester;2-amino-isophthalic acid dimethyl ester;1,3-Benzenedicarboxylic acid, 2-amino-, dimethyl ester;

Chemical Property of diMethyl 2-aMinoisophthalate

Chemical Property:

• Melting Point: 102-103 °C
• Boiling Point: 309.3±22.0 °C(Predicted)
• PKA: -0.19±0.10(Predicted)
• PSA: 78.62000
• Density: 1.248±0.06 g/cm3(Predicted)
• LogP: 1.42320
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl2-Aminoisophthalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of diMethyl 2-aMinoisophthalate

There total 6 articles about diMethyl 2-aMinoisophthalate 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: 99.0%

dimethyl 2-nitroisophthalate (57052-99-0) → dimethyl 2-amino-1,3-benzenedicarboxylate (57053-02-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate; at 20 ℃; for 20h;

DOI:10.1002/chem.201302471

Reference yield: 93.0%

methanol (67-56-1) + 5-aminoisophthalic acid (99-31-0) → dimethyl 2-amino-1,3-benzenedicarboxylate (57053-02-8)

Guidance literature:

With sulfuric acid; for 12h; Reflux;

Reference yield:

methanol (67-56-1) + 2-aminoisophthalic acid (39622-79-2) → dimethyl 2-amino-1,3-benzenedicarboxylate (57053-02-8)

Guidance literature:

With sulfuric acid; for 18h; Reflux;

DOI:10.1002/anie.201706345

upstream raw materials:

2,6-dimethylnitrobenzene

2-nitroisophthalic acid

dimethyl 2-nitroisophthalate

methanol