1-Acetylindole
ALDRICH/377104 - 98%
Synonym: NSC 521758
CAS Number: 576-15-8
Empirical Formula (Hill Notation): C10H9NO
Molecular Weight: 159.18
EC Number: 209-396-1
MDL Number: MFCD00038005
Linear Formula: C10H9NO
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 377104-1G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 377104-5G.
| assay | 98% |
| bp | 123-125 °C/8 mmHg (lit.) |
| density | 1.387 g/mL at 25 °C (lit.) |
| form | liquid |
| InChI | 1S/C10H9NO/c1-8(12)11-7-6 |
| InChI key | UUCUQJHYUPXDHN-UHFFFAOYSA |
| refractive index | n |
| SMILES string | CC(=O)n1ccc2ccccc12 |
| storage temp. | 2-8°C |
| Application: | 1-Acetylindole may be used in the stereocontrolled synthesis of (±)-geissoschizine. It may be used in the preparation of (1-acetyl-κO-indolyl-κC2)tetracarbonylmanganese, via a standard cyclomanganation procedure. |
| Application: | Reactant for preparation of: • Antimycobacterial agents • Cyclin-dependent kinase (CDK2) inhibitors Reactant for: • C3-C3 oxidative cross-coupling reactions |
| General description: | Quantum chemical calculations of ground state energy, geometrical structure and vibrational wavenumbers of 1-acetylindole has been carried out using density functional (DFT/B3LYP) method. Regioselective acylations of 1-acetylindole (N-acetylindole) under Friedel-Crafts reaction has been reported. Reaction of 1-acetylindole with manganese(III) acetate in the presence of malonic acid, is reported to afford 4-acetyl-3,3a,4,8b-tetrahydro-2H-furo[3,2-b]indol-2-one. |
| Packaging: | 1, 5 g in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| bp | 123-125 °C/8 mmHg (lit.) |
| Density | 1.387 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | 2-8°C |
| UNSPSC | 12352100 |