7-chloro-1H-indole-2-carboxylic acid
- CAS NO.：28899-75-4
- Empirical Formula: C9H6ClNO2
- Molecular Weight: 195.6
- MDL number: MFCD02664428
- EINECS: 249-296-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-01-30 10:21:20
What is 7-chloro-1H-indole-2-carboxylic acid?
The Uses of 7-chloro-1H-indole-2-carboxylic acid
7-chloro-1H-indole-2-carboxylic acid is an important pharmaceutical intermediate compound used in the preparation of protease inhibitors.
Synthesis
A mixture of 111.5 g of 7-chloroindole-2-carboxylate in 31.25 g of 96percent sodium hydroxide in 183 ml of methanol and 183 ml of water were heated under reflux for 1 hour, cooled to 45 ° C, and 10 percent hydrochloric acid was added dropwise to a pH of 3 to 4. The mixture was sufficiently cooled to obtain 89.7 g of product as an off-white 7-chloro-1H-indole-2-carboxylic acid.
Properties of 7-chloro-1H-indole-2-carboxylic acid
| Boiling point: | 449.7±25.0 °C(Predicted) |
| Density | 1.548±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 4.23±0.30(Predicted) |
| InChI | InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13) |
Safety information for 7-chloro-1H-indole-2-carboxylic acid
Computed Descriptors for 7-chloro-1H-indole-2-carboxylic acid
| InChIKey | NVKAHBFPKVINGE-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2Cl)C=C1C(O)=O |
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product: 28899-75-4 7-Chloro-1H-indole-2-carboxylic acid 98%
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