42122-73-6

Basic information

• Product Name: DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE
• Synonyms: 5-AMinoisophthalic acid diethyl ester;1,3-Benzenedicarboxylicacid, 5-amino-, 1,3-diethyl ester;5-aminobenzene-1,3-dicarboxylic acid diethyl ester;diethyl 5-aminobenzene-1,3-dicarboxylate
• CAS NO: 42122-73-6
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.26
• Mol File: 42122-73-6.mol
• Article Data: 21

Chemical Properties

• Melting Point: >300 °C
• Boiling Point: 388.7 °C at 760 mmHg
• Flash Point: 183.1 °C
• Appearance: /
• Density: 1.183 g/cm³
• Vapor Pressure: 3.02E-06mmHg at 25°C
• Refractive Index: 1.544
• PKA: 2.40±0.10(Predicted)
• CAS DataBase Reference: DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE(42122-73-6)
• EPA Substance Registry System: DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE(42122-73-6)

Safety Data

• Hazardous Substances Data: 42122-73-6(Hazardous Substances Data)

Usage

General Description

DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE is a chemical compound with the molecular formula C12H16N2O4·HCl. It is a hydrochloride salt of diethyl 5-aminoisophthalate, which is used as a dye intermediate and in the production of various organic compounds. The compound is a white to off-white powder, and it is soluble in water and alcohol. It is often used in the synthesis of pharmaceuticals, dyes, and other organic products. The compound is also known to have potential biological activity and is the subject of ongoing research in various fields.

InChI:InChI=1/C12H15NO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3

Upstream product

• 618-88-2 5-nitrobenzene-1,3-dicarboxylic acid 
• 64-17-5 ethanol 
• 99-31-0 5-aminoisophthalic acid 
• 10560-13-1 diethyl 5-nitro-isophthalate 

Downstream Products

• 1379592-14-9 diethyl 5-(3-(4-cyanophenyl)ureido)isophthalate 
• 1379592-11-6 5-(3-(4-cyanophenyl)ureido)isophthalic acid 
• 1379592-13-8 diethyl 5-(3-(4-aminophenyl)ureido)isophthalate 
• 957048-12-3 5-(3-(4-aminophenyl)ureido)isophthalic acid 
• 904195-55-7 diethyl 5-(3-(4-nitrophenyl)ureido)isophthalate 
• 888193-80-4 diethyl 5-(3-(4-nitrophenyl)thioureido)isophthalate 
• 337531-21-2 5-(3-(4-nitrophenyl)thioureido)isophthalic acid 
• 932378-94-4 benzene-1,3-dicarboxylethylester-5-boronic acid 

Relevant articles and documents

Supramolecular Anchoring of NCN-Pincer Palladium Complexes into a β-Barrel Protein Host: Molecular-Docking and Reactivity Insights

Several prochiral NCN-pincer complexes of palladium(II), with hemilabile ligands and a long aliphatic chain, were synthesized and characterized spectroscopically. In some of the complexes, the presence of two different substituents on the N donor atoms ma

A new double layered 2-D copper(II) coordination polymer based on a semi-rigid ligand

A new 2-D Cu(II) coordination polymer, [Cu2(L)(H2O)3]·4.5H2O (1) [H4L?=?5,5′-(pyrazine-2,3-diylbis(azanediyl))diisophthalic acid], has been synthesized from the reaction of Cu(NO3)2/s

“Orthogonal-Twisted-Arm” Ligands for The Construction of Metal–Organic Frameworks (MOFs): New Topology and Catalytic Reactivity

Extended tetratopic benzoic acid ligands with “orthogonal-twisted-arms” conformations were designed and synthesized for the construction of new MOF structures (OTA-MOF). Upon coordination with Cd2+ and Cu2+ cations, two well-defined new MOFs were prepared. X-ray single crystal structures were successfully obtained, demonstrating the formation of a new topology (4,4,4-c). The OTA2-MOF-Cu gave moderate stability in organic solvents and good gas sorption ability toward CO2. This new MOF showed superior catalytic reactivity toward the epoxide-CO2 cycloaddition, giving >50 folds yield enhancement over the controlled reaction without MOF. It is expected that this new ligand design, porous structure, and excellent CO2 catalytic reactivity will make OTA-MOF promising new materials for applications in catalysis and separation.

A charged metal-organic framework for CO2/CH4 and CO2/N2 separation

A microporous metal-organic framework [InL][(CH3)2NH2]·(H4L = 9-(3,5-dicarboxyphenyl)carbazole-3,6-dicarboxylic acid) (1) was hydrothermally synthesized and structurally characterized by single crystal X-ray dif