37789-64-3

Basic information

• Product Name: 4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER
• Synonyms: 4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER;4-(2-Carboxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
• CAS NO: 37789-64-3
• Molecular Formula: C₁₂H₁₇NO₄
• Molecular Weight: 239.27
• Mol File: 37789-64-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 419.3°C at 760 mmHg
• Flash Point: 207.4°C
• Appearance: /
• Density: 1.204g/cm³
• Vapor Pressure: 8.83E-08mmHg at 25°C
• Refractive Index: 1.541
• CAS DataBase Reference: 4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER(37789-64-3)
• EPA Substance Registry System: 4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER(37789-64-3)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 37789-64-3(Hazardous Substances Data)

Usage

Chemical compound

4-(2-CARBOXYETHYL)-3,5-DIMETHYLPYRROLE-2-CARBOXYLIC ACID, ETHYL ETHER

Molecular structure

contains a pyrrole ring with two carboxylic acid groups and two methyl groups attached to the ring, as well as an ethyl ether functional group

Potential applications

in organic chemistry, pharmaceuticals, and materials science

Unique structure and reactivity

may lead to advancements in various industries with further research and exploration

InChI:InChI=1/C12H17NO4/c1-4-17-12(16)11-7(2)9(8(3)13-11)5-6-10(14)15/h13H,4-6H2,1-3H3,(H,14,15)

Upstream product

• 54278-10-3 ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate 
• 52649-02-2 5-ethoxycarbonyl-2,4-dimethylpyrrole-3-acrylic acid 
• 54605-46-8 4-acetyl-5-oxohexanoic acid 
• 6829-41-0 diethyl oximinomalonate 

Downstream Products

• 132281-90-4 ethyl 4-methyl-1H-pyrrole-3-propanoate 
• 187986-71-6 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester 
• 4758-64-9 ethyl 3,5-dimethyl-4-propylpyrrole-2-carboxylate 
• 68500-82-3 4,4'-(1,3-propanediyl)bis[3,5-dimethylbis(phenylmethyl)ester]-1H-pyrrole-2-carboxylate 
• 884336-87-2 3-(2-tert-butoxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid 5-benzyl ester 
• 884336-91-8 4-(2-tert-butoxycarbonyl-ethyl)-5-dichloromethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 
• 884336-85-0 3-(2-benzyloxycarbonylethyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid ethyl ester 
• 884336-92-9 4-(2-tert-butoxycarbonyl-ethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester 
• 884336-86-1 4-(2-tert-butoxycarboxnylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester 
• 54474-50-9 2,4-dimethyl-3-pyrrolepropanoic acid 
• 852160-79-3 4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester 
• 884336-84-9 4-(2-benzyloxycarbonylethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 
• 531-14-6 coproporphyrin I 
• 2386-37-0 ethyl 3,5-dimethyl-4-(2-methoxycarbonyl-ethyl)pyrrole-2-carboxylate 

Relevant articles and documents

Synthesis of orthogonally protected pyrrole tricarboxylic acid derivatives: Versatile building blocks for pyrrole-containing compounds

The large-scale synthesis of three new orthogonally protected pyrrole tricarboxylates 1-3 is described. Using different cleavage conditions, each of the three carboxylates can be set free selectively without affecting the others, making these pyrrole derivatives versatile synthetic building blocks for a wide range of applications in natural product or supramolecular chemistry. Georg Thieme Verlag Stuttgart.

Heteronuclear NOE analysis of bilirubin solution conformation and intramolecular hydrogen bonding

1H{1H}-Homonuclear and 13C{1H}-heteronuclear NOE (Nuclear Overhauser Effect) experiments carried out on bilirubin analogs (1-5) in CDCl3 and in CDCl3-(CD3)2SO solutions indicate that the carboxylic acid groups and dipyrrinone lactams and/or pyrroles are linked by intramolecular hydrogen bonding. Nonbonded C-H to H-C and N-H to H-N, and N-H to CO2H distances were calculated from the NOE data and confirm that the bilirubins adopt a folded, ridge-tile shape in solution.