16732-57-3
Ethyl 5-nitroindole-2-carboxylate
CAS: 16732-57-3
Molecular Formula: C11H10N2O4
16732-57-3 - Names and Identifiers
16732-57-3 - Physico-chemical Properties
| Molecular Formula | C11H10N2O4 |
| Molar Mass | 234.21 |
| Density | 1.3240 (rough estimate) |
| Melting Point | 220-225 °C |
| Boling Point | 376.52°C (rough estimate) |
| Flash Point | 213.5°C |
| Water Solubility | negligible |
| Vapor Presure | 1.4E-07mmHg at 25°C |
| Appearance | Yellow to brown powder |
| Color | Yellow to brown |
| pKa | 13.26±0.30(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Refractive Index | 1.5300 (estimate) |
| MDL | MFCD00216477 |
16732-57-3 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R41 - Risk of serious damage to eyes R36 - Irritating to the eyes |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S39 - Wear eye / face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| HS Code | 29349990 |
| Hazard Class | IRRITANT |
16732-57-3 - Reference Information
| Introduction | Ethyl 5-nitroindole-2-formate is yellow to brown powder and can be used as an organic intermediate. |
| Use | Ethyl 5-nitroindole-2-carboxylate is used as a reagent for the synthesis of indole-2-ylethyl ketone, as a new type of indoleamine 2, 3-dioxygenase (IDO) inhibitor. Ethyl 5-nitroindole-2-carboxylate is also a useful synthetic intermediate for the synthesis of diheteroarylpiperazine (BHAP) reverse transcriptase inhibitor davilvidine. |
| preparation | 80mL ethanol, 7.2g( 40mmol) 5-nitroindole -2-carboxylic acid were added to a 250mL three-neck bottle, 1.0mL concentrated sulfuric acid was slowly added dropwise at room temperature, dripping was completed, and reflux reaction was carried out for 30h( TLC tracking). At the end of the reaction, concentrate to 30mL, pour into 60mL of water, extract twice with 20mL of diethyl ether, wash the diethyl ether layer once with 5% sodium carbonate solution, then wash to neutral with water, dry anhydrous magnesium sulfate, evaporate the diethyl ether to obtain 7.7g of yellow to brown powder 5-nitroindole -2-carboxylate with 92.3% yield. |
Last Update：2024-04-09 21:11:58
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View History
16732-57-3
249649-08-6
73387-46-9
134524-84-8
7784-18-1
26652-09-5
21803-49-6
ONO-4059
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134524-84-8
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26652-09-5
21803-49-6
ONO-4059
864070-18-8
Propynal diethyl acetal