Introduction：Basic information about Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate CAS 2436-79-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Basic information
| Product Name: | Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate |
| Synonyms: | RARECHEM AL BI 0939;TIMTEC-BB SBB003220;DIETHYL 2,4-DIMETHYL-1H-PYRROLE-3,5-DICARBOXYLATE;DIETHYL 2,4-DIMETHYLPYRROLE-3,5-DICARBOXYLATE;DIETHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE;DIETHYL 3,5-DIMETHYL 2,4-DICARBOXYLATE PYRROLE;3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER;1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,diethylester |
| CAS: | 2436-79-5 |
| MF: | C12H17NO4 |
| MW: | 239.27 |
| EINECS: | 219-431-2 |
| Product Categories: | D-DIF;Bioactive Small Molecules;Building Blocks;Cell Biology;Chemical Synthesis;Heterocyclic Building Blocks;Building Blocks;Heterocyclic Building Blocks;Pyrroles;Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines;Sunitinib Intermediate;Pharmaceutical Intermediates;Pharmaceutial intermediates |
| Mol File: | 2436-79-5.mol |
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Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Chemical Properties
| Melting point | 135-136 °C(lit.) |
| Boiling point | 381.93°C (rough estimate) |
| density | 1.1724 (rough estimate) |
| refractive index | 1.5300 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 14.69±0.50(Predicted) |
| form | powder to crystal |
| color | Light yellow to Yellow to Orange |
| InChI | InChI=1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3 |
| InChIKey | XSBSXJAYEPDGSF-UHFFFAOYSA-N |
| SMILES | N1C(C)=C(C(OCC)=O)C(C)=C1C(OCC)=O |
| LogP | 3.850 (est) |
| CAS DataBase Reference | 2436-79-5(CAS DataBase Reference) |
| NIST Chemistry Reference | 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, diethyl ester(2436-79-5) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 24/25 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| HS Code | 29339900 |
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Usage And Synthesis
| Chemical Properties | light yellow to light pink |
| Uses | Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate can be used in organic synthesis and experimental research. |
| Synthesis | Using Knorr pyrrole synthesis, diethyl 2,4-dimethyl-pyrrole-3,5-dicarboxylate was synthesized via one-pot method with ethyl acetoacetate and sodium nitrite as starting materials in the presence of acetic acid and zinc powder. |
Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate Preparation Products And Raw materials
| Preparation Products | Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate |
