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| | Ethyl pyrrole-2-carboxylate Basic information | | Synthesis |
| | Ethyl pyrrole-2-carboxylate Chemical Properties |
| Melting point | 37-39°C | | Boiling point | 70°C 0,8mm | | density | 1.139±0.06 g/cm3(Predicted) | | Fp | 70°C/0.8mm | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 15.25±0.50(Predicted) | | color | White to Yellow to Orange | | BRN | 2645 | | InChI | InChI=1S/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H3 | | InChIKey | PAEYAKGINDQUCT-UHFFFAOYSA-N | | SMILES | N1C=CC=C1C(OCC)=O | | LogP | 1.730 (est) | | CAS DataBase Reference | 2199-43-1(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 41 | | Safety Statements | 24/25 | | WGK Germany | WGK 3 | | HazardClass | IRRITANT | | HS Code | 2933998090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
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| | Ethyl pyrrole-2-carboxylate Usage And Synthesis |
| Synthesis | The preparation method of ethyl pyrrole-2-carboxylate is as follows: A solution of 2,2,2-trichloro-1-(1H-pyrrole-2-yl)-acetone (25 g, 0.12 mol) in ethanol (200 mL) was treated with potassium carbonate (5 g). The mixture was then heated to reflux for 1 hour. After this, the solid residue was filtered off, and the solution was concentrated under reduced pressure. Ethyl acetate (200 mL) was added, and the solution was washed with water (2×). The organic phase was dried on Na₂SO₄. Ethyl pyrrole-2-carboxylate (18 g) was obtained as a pale yellow solid. HPLC (Method 2): m/z 140.12 [m+H]+, 1H NMR (400.5 MHz, DMSO-d6) δppm 1.29 (t, J=7.0 Hz, 3H), 4.23 (q, J=700 Hz, 2H), 6.25–6.04 (m, 1H), 6.86–6.65 (m, 2H).
Figure: Synthetic Route of Ethyl Pyrrole-2-Carboxylate | | Chemical Properties | Ethyl pyrrole-2-carboxylate is white or light yellow crystalline | | Uses | Ethyl pyrrole-2-carboxylate is a pyrole derivative used in the preparation of heterocyclic bioactive agents and other pharmaceutical compounds. A catalyst in olefin polymerization. | | Definition | ChEBI: Ethyl 2-pyrrolecarboxylate is a member of pyrroles. | | Synthesis Reference(s) | Tetrahedron Letters, 27, p. 6315, 1986 DOI: 10.1016/S0040-4039(00)87796-5 |
| | Ethyl pyrrole-2-carboxylate Preparation Products And Raw materials |
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