Introduction：Basic information about Methyl indole-3-carboxylate CAS 942-24-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Methyl indole-3-carboxylate Basic information
| Product Name: | Methyl indole-3-carboxylate |
| Synonyms: | Methyl indolyl-3-carboxylate;Methyl 3-indolecarboxylate;Methyl indole-3-carboxylate, 99% 50GR;METHYL-(3-INDOLCARBOXYLATE) FOR SYNTHESI;INDOLE-3-CARBOXYLIC ACID METHYL ESTER(I3CAMe);Indole -3-Methyl forMate;3-indole,Methyl forMate;Indole-3-carboxylicacidmethylester,99% |
| CAS: | 942-24-5 |
| MF: | C10H9NO2 |
| MW: | 175.18 |
| EINECS: | 618-347-7 |
| Product Categories: | Heterocycle-Indole series;Indoles;Simple Indoles;Building Blocks;Heterocyclic Building Blocks;Indoles and derivatives;Heterocycles series;IndoleDerivative;Indole |
| Mol File: | 942-24-5.mol |
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Methyl indole-3-carboxylate Chemical Properties
| Melting point | 149-152 °C (lit.) |
| Boiling point | 306.47°C (rough estimate) |
| density | 1.1999 (rough estimate) |
| refractive index | 1.5060 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 15.42±0.30(Predicted) |
| color | Light Pink |
| Water Solubility | Slightly soluble methanol and dimethyl sulfoxide. Insoluble in water. |
| BRN | 142023 |
| InChI | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 |
| InChIKey | QXAUTQFAWKKNLM-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(C(OC)=O)=C1 |
| CAS DataBase Reference | 942-24-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
Methyl indole-3-carboxylate Usage And Synthesis
| Chemical Properties | light brown amorphous powder |
| Uses | Methyl indole-3-carboxylate is a reagent in the preaparation of oncrasin-1 derivatives which is a novel inhibitor of the C-terminal domain of RNA polymerase II. |
| Uses | Reactant for preparation of:
- Nitric oxide synthase (nNOS) inhibitorS
- Protein kinase c alpha (PKCα) inhibitors
- Inhibitors of the C-terminal domain of RNA polymerase II as antitumor agents
- Kinase insert domain receptor (KDR) inhibitors
- Organocatalysts for the anti-Mannich reaction
- Very late antigen-4 (VLA-4) antagonists
- Inhibitors of Human 5-Lipoxygenase
- Serotonin 5-HT4 receptor antagonists
- Hyaluronidase inhibitors
Reactant for:
- Enantioselective Meerwein-Eschenmoser Claisen rearrangement reactions?
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| Definition | ChEBI: Methyl indole-3-carboxylate is the methyl ester of indole-3-carboxylic acid. It has a role as a metabolite. It is a member of indoles and a methyl ester. It is functionally related to an indole-3-carboxylic acid. |
| General Description | Methyl indole-3-carboxylate (3-Methoxycarbonylindole, 3-Carbomethoxyindole, Methyl indolyl-3-carboxylate) has been extracted from the marine Streptomyces sp. 060524. Its crystal structure indicates the presence of inter-molecular N-H…O hydrogen bond. It is also obtained during the isolation of sorazinones A and B from Sorangium cellulosum strain Soce895. It undergoes regioselective dibromination with bromine in acetic acid to afford methyl 5,6-dibromoindole-3-carboxylate. |
Methyl indole-3-carboxylate Preparation Products And Raw materials
| Preparation Products | 1H-Indole-3-aceticacid,4-bromo-(9CI)-->3-Methyl-d3-indole-->METHYL 1-(PHENYLSULFONYL)-1H-INDOLE-3-CARBOXYLATE-->1H-INDOLE-3-CARBOXYLIC ACID, 6-METHYL-1-(PHENYLMETHYL)-,METHYL ESTER |
