| Identification | Back Directory | [Name]
DIETHYL 3,4-PYRROLEDICARBOXYLATE | [CAS]
41969-71-5 | [Synonyms]
DIETHYL 3,4-PYRROLEDICARBOXYLATE
Diethyl 3,4-pyrroledicarboxylate 98%
diethyl 1H-pyrrole-3,4-dicarboxylate
1H-Pyrrole-3,4-dicarboxylic acid, 3,4-diethyl ester | [Molecular Formula]
C10H13NO4 | [MDL Number]
MFCD00192033 | [MOL File]
41969-71-5.mol | [Molecular Weight]
211.21 |
| Chemical Properties | Back Directory | [Melting point ]
147-149 °C (dec.) (lit.) | [Boiling point ]
373.5±22.0 °C(Predicted) | [density ]
1.196±0.06 g/cm3(Predicted) | [storage temp. ]
Storage temp. 2-8°C | [pka]
13.83±0.50(Predicted) | [Appearance]
Light brown to brown Solid | [InChI]
1S/C10H13NO4/c1-3-14-9(12)7-5-11-6-8(7)10(13)15-4-2/h5-6,11H,3-4H2,1-2H3 | [InChIKey]
QKXBVVVYILIRDO-UHFFFAOYSA-N | [SMILES]
CCOC(=O)c1c[nH]cc1C(=O)OCC |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
Diethyl 3,4-pyrroledicarboxylate may be used in the synthesis of trisubstituted pyrroles like diethyl 1-hydroxymethyl-3,4-pyrroledicarboxylate and diethyl 1-benzoyloxyrmethyl-3,4-pyrroledicarboxylate. It is also used to prepare pyrrole copolymer soft actuators with reduced electrochemical creep and actuating strain. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 48, p. 4399, 1983 DOI: 10.1021/jo00171a053
Tetrahedron Letters, 12, p. 3165, 1971 | [General Description]
Diethyl 3,4-pyrroledicarboxylate (Diethyl 1H-pyrrole-3,4-dicarboxylate) is a 3,4-pyrrole dicarboxylic diester. It has been prepared by the hydrolysis of diethyl 1-benzoyl-3,4-pyrroledicarboxylate and confirmed by IR, NMR and mass spectra. |
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