Dimethyl 5-aminoisophthalate

CAS: 99-27-4

Ref. 3D-FD34679

Product Information

• Name: Dimethyl 5-aminoisophthalate
• Synonyms: 1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester, 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester, 1,3-Dimethyl 5-aminobenzene-1,3-dicarboxylate, 3,5-Bis(methoxycarbonyl)aniline, 3,5-Dicarbomethoxyaniline, 3,5-Dimethoxycarbonylaniline, 3-Benzenedicarboxylicacid,5-Amino-Dimethylester, 5-Amino-1,3-isophthalic acid dimethyl ester, 5-Amino-Dimethyl Iso-Phthalate, 5-Aminobenzene-1,3-dicarboxylic acid dimethyl ester, 5-Aminoisophthalic acid dimethyl ester, 5-Aminoisophthalic acid methyl ester, Dimethyl 5-aminobenzene-1,3-dicarboxylate, Isophthalic acid, 5-amino-, dimethyl ester, Labotest-Bb Lt00080775, Methyl 5-amino-3-(methoxycarbonyl)benzoate, NSC 34721
• CAS: 99-27-4

Description

Dimethyl 5-aminoisophthalate (5AIM) is a homogeneous catalyst that has shown efficient reactions for the synthesis of 1,4-dihydropyridines. The crystalline structure of 5AIM was determined by x-ray diffraction and exhibits two distinct conformations depending on the solvent. It can be synthesized from methyl aminomalonate and ethylene glycol in a one-pot reaction. The hydrochloric acid-catalyzed hydrolysis of sodium taurocholate provides the hydroxyl group required for 5AIM synthesis. Molecular modelling studies have suggested that the diphosphine ligand may be involved in metal ion catalysis, but this has not been confirmed experimentally. Magnetic resonance spectroscopy studies have shown that model complexes containing 5AIM are stable at room temperature and pressure conditions.

• Brand: Biosynth

Chemical properties

• Molecular weight: 209.2 g/mol
• Formula: C₁₀H₁₁NO₄
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
• InChI key: InChIKey=DEKPYXUDJRABNK-UHFFFAOYSA-N
• SMILES: COC(=O)c1cc(N)cc(C(=O)OC)c1