Name: 4-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
SKU: 67318-12-1

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Basic Information

Molecular Structure:
CAS No.:	67318-12-1
Name:	4-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER
Article Data:	6

Formula:	C₇H₁₀N₂O₂
Molecular Weight:	154.169
Synonyms:	Ethyl 4-aminopyrrole-2-carboxylate;4-Amino-1H-pyrrole-2-carboxylic acid ethyl ester;
Density:	1.238 g/cm³
Boiling Point:	348.8 °C at 760 mmHg
Flash Point:	164.7 °C
PSA:	68.11000
LogP:	1.35480

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Specification

The CAS registry number of 1H-Pyrrole-2-carboxylicacid,4-amino-,ethyl ester is 67318-12-1. The IUPAC name is ethyl 4-amino-1H-pyrrole-2-carboxylate. In addition, the molecular formula is C₇H₁₀N₂O₂ and the molecular weight is 154.1665. It should be stored in a cool and dry place.

Physical properties about 1H-Pyrrole-2-carboxylicacid,4-amino-,ethyl ester are: (1)ACD/LogP: 0.55; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 34.47 Å²; (6)Index of Refraction: 1.578; (7)Molar Refractivity: 41.32 cm³; (8)Molar Volume: 124.4 cm³; (9)Polarizability: 16.38 ×10^-24cm³; (10)Surface Tension: 54 dyne/cm; (11)Density: 1.238 g/cm³; (12)Flash Point: 164.7 °C; (13)Enthalpy of Vaporization: 59.32 kJ/mol; (14)Boiling Point: 348.8 °C at 760 mmHg; (15)Vapour Pressure: 4.91E-05 mmHg at 25°C.

Uses of 1H-Pyrrole-2-carboxylicacid,4-amino-,ethyl ester: it can react with 5-oxo-L-proline to get ethyl 4-(2-oxopyrrolidine-5-carboxamido)pyrrole-2-carboxylate. This reaction will need reagents 4-(dimethylamino)pyridine and DCC and solvent dimethylformamide. The reaction time is 17 hours at ambient temperature. The yield is about 71%.

1H-Pyrrole-2-carboxylicacid,4-amino-,ethyl ester can react with 5-oxo-L-proline to get ethyl 4-(2-oxopyrrolidine-5-carboxamido)pyrrole-2-carboxylate

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cc(N)cn1
(2)InChI: InChI=1/C7H10N2O2/c1-2-11-7(10)6-3-5(8)4-9-6/h3-4,9H,2,8H2,1H3
(3)InChIKey: OVIXWEAINBQWBW-UHFFFAOYAA