16800-67-2
indoxyl 1,3-diacetate
CAS: 16800-67-2
Molecular Formula: C12H11NO3
16800-67-2 - Names and Identifiers
| Name | indoxyl 1,3-diacetate |
| Synonyms | AKOS 92481 AKOS AU36-M367 1,3-DIACETOXYINDOLE 1,3-Diacetoxyindole indoxyl 1,3-diacetate Indoxyl-1,3-diacetate INDOXYL 1,3-DIACETATE N-ACETYL-3-ACETOXYINDOLE N-Acetylindol-3-yl acetate N-ACETYLINDOL-3-YL ACETATE 1-acetyl-1H-indol-3-yl acetate 1-acetyl-1h-indol-3-oacetate(ester) ACETIC ACID 1-ACETYL-1H-INDOL-3-YL ESTER |
| CAS | 16800-67-2 |
| InChI | InChI=1/C12H11NO3/c1-8(14)13-7-12(16-9(2)15)10-5-3-4-6-11(10)13/h3-7H,1-2H3 |
16800-67-2 - Physico-chemical Properties
| Molecular Formula | C12H11NO3 |
| Molar Mass | 217.22 |
| Density | 1.21±0.1 g/cm3(Predicted) |
| Melting Point | 80 °C |
| Boling Point | 345.3±15.0 °C(Predicted) |
| Flash Point | 162.6°C |
| Solubility | Chloroform, Ethyl Acetate, Methanol |
| Vapor Presure | 6.21E-05mmHg at 25°C |
| Appearance | Solid |
| Color | Light Brown |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | 1.578 |
| MDL | MFCD00022890 |
| Use | An indole derivative. |
16800-67-2 - Risk and Safety
| Safety Description | 24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| HS Code | 29339900 |
16800-67-2 - Introduction
N-Acetyl-3-acetoxyindole is an indole derivative.
Last Update：2022-10-16 17:14:19
16800-67-2 - Reference Information
| Uses | N,O-1, 3-diacetylindole is an organic intermediate, and it has been reported in the literature that it can be used to prepare 11-β-hydroxysteroid dehydrogenase Inhibitor. |
| preparation | 2-[(carboxymethyl) amino] benzoic acid (intermediate -32) synthesis: to a 500mL double-neck RB flask equipped with a magnetic stirrer, to a stirring solution of K2CO3(83g,602mmol) in water (140mL) dropwise o-aminobenzoic acid (20g,145mmol), then chloroacetic acid (13.7g,145mmol) was added dropwise under N2 atmosphere at room temperature for about 30 minutes. The reaction material was then heated at 90°C for 16 hours. After the reactants are cooled to room temperature, the pH of the reaction material is adjusted to 4-5 using citric acid. The solid matter is then filtered and dried in a vacuum furnace at 70°C for 12 hours to produce an intermediate -32(23g) of a light brown solid. Synthesis of N,O-1,3-diacetylindole (intermediate -33): acetic anhydride (110mL,1200mmol) was slowly added to the stirring solution of triethylamine (170mL,1242mmol) and intermediate -32(23g,117mmol) under N2 atmosphere at 0 ℃ to a 500mL double-neck RB flask equipped with a magnetic stirred stirrer. The reaction material was stirred at room temperature for 5 hours and further heated at 80°C for 16 hours. The reactants were then cooled to 0°C and extracted with ethyl acetate (4 × 150mL). The organic layer was washed with a saline solution, dried and concentrated on Na2SO4. With hexane: EtOAc, the coarse material was purified by silica gel column elution to produce a brown solid intermediate -33(5.5g). |
Last Update：2024-04-09 20:52:54
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