16132-20-0

Basic information

• Product Name: methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
• Synonyms: 3,5-Dimethyl-2-carboxy-1H-pyrrole-4-propanoic acid dimethyl ester
• CAS NO: 16132-20-0
• Molecular Formula: C₁₂H₁₇NO₄
• Molecular Weight: 239.2677
• Mol File: 16132-20-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 108 °C
• Boiling Point: 362.8°C at 760 mmHg
• Flash Point: 173.2°C
• Density: 1.153g/cm³
• Vapor Pressure: 1.88E-05mmHg at 25°C
• Refractive Index: 1.516
• PKA: 16.21±0.50(Predicted)
• CAS DataBase Reference: methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate(16132-20-0)
• EPA Substance Registry System: methyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate(16132-20-0)

Safety Data

• Hazardous Substances Data: 16132-20-0(Hazardous Substances Data)

Upstream product

• 37789-64-3 4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 
• 54474-51-0 methyl 2,4-dimethyl-3-pyrrolepropionate 
• 61295-92-9 methyl 2-cyano-2-hydroxyiminoacetate 
• 13984-53-7 methyl 4-acetyl-5-oxohexanoate 

Downstream Products

• 548740-24-5 (Z)-3-[(3,5-dimethyl-4-(2-methoxycarbonylethyl)-1H-pyrrol-2-yl)-methylidenyl]-indolin-2-one 
• 210644-62-5 (Z)-5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-propanoic acid 

Relevant articles and documents

Synthesis of cyanopyrroles

Regioselective synthesis of α-cyanopyrroles (vs. α- alkoxycarbonylpyrroles) using oximinocyanoacetate esters in a Knorr-type reductive condensation with β-diketones can be directed by the presence of water. Thus, methyl oximinocyanoacetate was reacted with pentane-2,4-dione in hot acetic acid in the presence of zinc dust to give exclusively 3,5- dimethylpyrrole-2-carbonitrile when the acetic acid was wet; whereas, in glacial acetic acid only methyl 3,5-dimethylpyrrole-2-carboxylate was isolated (~40% yield).