Introduction：Basic information about Ethyl indole-3-carboxylate CAS 776-41-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl indole-3-carboxylate Basic information
| Product Name: | Ethyl indole-3-carboxylate |
| Synonyms: | 1H-INDOLE-3-CARBOXYLIC ACID ETHYL ESTER;ETHYL INDOLE-3-CARBOXYLATE;INDOLE-3-CARBOXYLIC ACID ETHYL ESTER;3-CARBETHOXYINDOLE;RARECHEM AL BI 0095;SPECS AN-068/14539028;INDOLE-3-CARBOXYLIC ACID ETHYL ESTER(I3CAEt);3-(Ethoxycarbonyl)indole |
| CAS: | 776-41-0 |
| MF: | C11H11NO2 |
| MW: | 189.21 |
| EINECS: | 805-824-1 |
| Product Categories: | IndoleDerivative;Indole;Building Blocks;Heterocyclic Building Blocks;Indoles |
| Mol File: | 776-41-0.mol |
|
Ethyl indole-3-carboxylate Chemical Properties
| Melting point | 120-124 °C |
| Boiling point | 342.4±15.0 °C(Predicted) |
| density | 1.210±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | Solid |
| pka | 15.42±0.30(Predicted) |
| color | Light yellow to Brown |
| InChI | 1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3 |
| InChIKey | XOUHVMVYFOXTMN-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1c[nH]c2ccccc12 |
| CAS DataBase Reference | 776-41-0(CAS DataBase Reference) |
Safety Information
| WGK Germany | 3 |
| HS Code | 2933998090 |
| Storage Class | 13 - Non Combustible Solids |
Ethyl indole-3-carboxylate Usage And Synthesis
| Chemical Properties | Yellow solid |
| Uses | Ethyl Indole-3-carboxylate is a compound that has been isolated from the south China sea sponge, Xetospongia testudinaria. |
| Uses | Reactant for preparation of:
- Indole-based heterocycles for synthesis of indole-based p38 inhibitors and gramines
- Glycine receptor ligands
- Inhibitors of Human 5-Lipoxygenase
- Antimicrobial agents
|
| Synthesis Reference(s) | The Journal of Organic Chemistry, 71, p. 4675, 2006 DOI: 10.1021/jo0601821 |
Ethyl indole-3-carboxylate Preparation Products And Raw materials
| Preparation Products | 1H-INDOLE-1,3-DICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL)3-ETHYL ESTER-->ethyl 6-amino-1H-indole-3-carboxylate |
