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