187986-71-6

Basic information

• Product Name: 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester
• Synonyms: 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester
• CAS NO: 187986-71-6
• Molecular Weight: 379.477
• Mol File: 187986-71-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester(187986-71-6)
• EPA Substance Registry System: 3,5-Dimethyl-4-[3-(toluene-4-sulfonyloxy)-propyl]-1H-pyrrole-2-carboxylic acid ethyl ester(187986-71-6)

Safety Data

• Hazardous Substances Data: 187986-71-6(Hazardous Substances Data)

Upstream product

• 54278-10-3 ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate 
• 37789-64-3 4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 
• 187986-70-5 4-(3-hydroxypropyl)-3,5-dimethyl-4-(3-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester 
• 98-59-9 p-toluenesulfonyl chloride 

Downstream Products

• 4758-64-9 ethyl 3,5-dimethyl-4-propylpyrrole-2-carboxylate 

Relevant articles and documents

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.