Introduction：Basic information about 1-Methylindole-3-carboxaldehyde CAS 19012-03-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
1-Methylindole-3-carboxaldehyde Basic information
| Product Name: | 1-Methylindole-3-carboxaldehyde |
| Synonyms: | TIMTEC-BB SBB010057;RARECHEM AH BS 0121;1 METHYLINDOLE-3-ALDEHYDE;1-METHYLINDOLE-3-CARBALDEHYDE;1-METHYLINDOLE-3-CARBOXALDEHYDE;1-METHYL-1H-INDOLE-3-CARBALDEHYDE;1-METHYL-1H-INDOLE-3-CARBOXALDEHYDE;AKOS JY2082515 |
| CAS: | 19012-03-4 |
| MF: | C10H9NO |
| MW: | 159.18 |
| EINECS: | 242-750-3 |
| Product Categories: | Heterocycle-Indole series;Heterocycles;Indoles and derivatives;Building Blocks;Heterocyclic Building Blocks;Indoles;ALDEHYDE;Indole;Heterocyclic Compounds |
| Mol File: | 19012-03-4.mol |
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1-Methylindole-3-carboxaldehyde Chemical Properties
| Melting point | 70-72 °C (lit.) |
| Boiling point | 186-189 °C(Press: 3-4 Torr) |
| density | 1.10±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Crystalline Powder and Chunks |
| color | Light yellow to orange or brown |
| Water Solubility | Insoluble in water. |
| Sensitive | Air Sensitive |
| BRN | 121302 |
| InChI | 1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3 |
| InChIKey | KXYBYRKRRGSZCX-UHFFFAOYSA-N |
| SMILES | Cn1cc(C=O)c2ccccc12 |
| CAS DataBase Reference | 19012-03-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
1-Methylindole-3-carboxaldehyde Usage And Synthesis
| Chemical Properties | light yellow to orange or brown crystalline powder |
| Uses | Reactant for preparation of nitroolefins and β-nitroalcohols via microwave- or ultrasound-assisted Henry reactions Reactant for synthesis of quinolinones via three-component Ugi reaction Reactant for synthesis of α-ketoamides as inhibitors of Dengue virus protease with antiviral activity in cell-culture Reactant for preparation of thiazolopyrimidinones as inhibitors of Bcl-2 proteins Reactant for preparation of vinylindoles via Peterson olefination or olefination with Nysted reagent Reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents. |
| Uses | 1-Methylindole-3-carboxaldehyde is used as a reactant for preparation of nitroolefins and β-nitroalcohols via microwave- or ultrasound-assisted Henry reactions, reactant for synthesis of quinolinones via three-component Ugi reaction, reactant for synthesis of α-ketoamides as inhibitors of Dengue virus protease with antiviral activity in cell-culture, reactant for preparation of thiazolopyrimidinones as inhibitors of Bcl-2 proteins, reactant for preparation of vinylindoles via Peterson olefination or olefination with Nysted reagent, reactant for preparation of indolyl alkenes from microwave-enhanced Knoevenagel condensation as antibacterial agents 1-Methylindole-3-carboxaldehyde may be used in the synthesis of (Z)-3-(1-methyl-1H-indol-3-yl)-2-(thiophen-3-yl)acrylonitrile, via base-catalyzed condensation with thiophene-3-acetonitrile. It was also used in the preparation of monomer, required for the synthesis of poly(3-vinyl-1-methylindole). |
| Synthesis Reference(s) | Tetrahedron, 49, p. 4015, 1993 DOI: 10.1016/S0040-4020(01)89915-4
Synthesis, p. 396, 1987 DOI: 10.1055/s-1987-27960 |
| General Description | 1-Methylindole-3-carboxaldehyde is a heterocyclic indole aldehyde. 1-Methylindole-3-carboxaldehyde on condensation with 2-hydroxybenzohydrazide yields Schiff base. |
1-Methylindole-3-carboxaldehyde Preparation Products And Raw materials
| Raw materials | 3-CYANO-1-METHYLINDOLE-->1-Methylindole-->[(difluoromethyl)thio]benzene-->Indole-3-carboxaldehyde-->Iodomethane-->Dimethyl carbonate |
| Preparation Products | 1-Methyl-1H-indole-3-carboxylic acid-->PROPYNAL-->9-Methyl-9H-beta-carboline-->3-TRIMETHYLSILYLPROPYNAL-->1-METHYLTRYPTAMINE |
