68999-91-7

Basic information

• Product Name: 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
• Synonyms: 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE;1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,4-ethyl2-(phenylmethyl)ester(9CI);2-BENZYLOXYCARBONYL-3,5-DIMETHYL-4-ETHOXYCARBONYLPYRROLE;1H-Pyrrole-2,4-dicarboxylic acid, 3,5-diMethyl-, 4-ethyl 2-(phenylMethyl) ester
• CAS NO: 68999-91-7
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.33706
• Product Categories: HANTZSCH
• Mol File: 68999-91-7.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE(68999-91-7)
• EPA Substance Registry System: 2-BENZYL 4-ETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE(68999-91-7)

Safety Data

• Hazardous Substances Data: 68999-91-7(Hazardous Substances Data)

Upstream product

• 5396-89-4 benzyl acetoacetate 
• 141-97-9 ethyl acetoacetate 
• 64-19-7 acetic acid 
• 591-60-6 butyl acetoacetate 

Downstream Products

• 3274-65-5 ethyl 2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxylate 
• 123784-50-9 3-Methyl-5-nitrooxymethyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester 4-ethyl ester 
• 4563-77-3 benzyl 3-methyl-4-(ethoxycarbonyl)-2-pyrrolecarboxylate 
• 81972-09-0 dibenzyl 3,4'-bis(ethoxycarbonyl)-3',4-dimethyldipyrrylmethane-5,5'-dicarboxylate 
• 81972-02-3 benzyl 3-methyl-4-(ethoxycarbonyl)-5-(tert-butoxycarbonyl)-2-pyrrolecarboxylate 
• 81972-07-8 benzyl 3-(ethoxycarbonyl)-4-methyl-5-formyl-2-pyrrolecarboxylate 
• 81972-08-9 benzyl 3-(ethoxycarbonyl)-4-methyl-5-(hydroxymethyl)-2-pyrrolecarboxylate 
• 81972-06-7 benzyl 3-(ethoxycarbonyl)-4-methyl-2-pyrrolecarboxylate 
• 81972-01-2 benzyl 5-iodo-4-(ethoxycarbonyl)-3-methyl-2-pyrrolecarboxylate 
• 6277-13-0 3-ethoxycarbonyl-4-methylpyrrole-2-carboxylic acid 
• 2199-51-1 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 5442-91-1 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester 
• 112452-43-4 benzyl 4-ethoxycarbonyl-5-(2-methoxycarbonylvinyl)-3-methylpyrrole-2-carboxylate 
• 4458-65-5 benzyl 4-ethoxycarbonyl-5-formyl-3-methylpyrrole-2-carboxylate 

Relevant articles and documents

Carbon-5 Regiospecific Synthesis of Deuteroporphyrin IX

Benzyl 3-(ethoxycarbonyl)-4-methyl-2-pyrrolecarboxylate was formylated with dimethylformamide (DMF)-phosphorous oxychloride, and the 5-formylpyrrole was obtained in 50percent yield.It was reduced with sodium borohydride to the alcohol, which was condensed with benzyl 3-methyl-4-(ethoxycarbonyl)-2-pyrrolecarboxylate to afford dibenzyldipyrrylmethane in good yield.The latter was transformed into its 5,5'-diformyl derivative which when condensed with bis-4-methylpyrryl>methane afforded the 3,8-bis(ethoxycarbonyl)deuteroporphyrin IX dimethyl ester in 40percent yield.Decarboxylation of the latter in hot hydrochloric acid gave deuteroporphyrin IX (isolated as its dimethyl ester) in 50percent yield.