5-nitro-2H-indazole-3-carboxaldehyde

5-nitro-2H-indazole-3-carboxaldehyde - Names and Identifiers

Name	5-nitro-1H-indole-3-carbaldehyde
Synonyms	RARECHEM AH BS 0125 5-NITROINDOLE-3-ALDEHYDE 3-Formyl-5-nitro-1H-indole 5-Nitroindole-3-carbaldehyde 5-NITROINDOLE-3-CARBOXALDEHYDE 5-Nitroindole-3-carboxaldehyde 5-Nitro-1H-indole-3-carbaldehyde 5-NITRO-1H-INDOLE-3-CARBALDEHYDE 5-nitro-1H-indole-3-carbaldehyde 5-Nitro-1H-indole-3-carboxaldehyde 5-nitro-1H-indazole-3-carbaldehyde 5-nitro-2H-indazole-3-carboxaldehyde
CAS	6625-96-3
InChI	InChI=1/C8H5N3O3/c12-4-8-6-3-5(11(13)14)1-2-7(6)9-10-8/h1-4H,(H,9,10)

5-nitro-2H-indazole-3-carboxaldehyde - Physico-chemical Properties

Molecular Formula	C9H6N2O3
Molar Mass	190.16
Density	1.516±0.06 g/cm3(Predicted)
Melting Point	300 °C
Boling Point	441.5±25.0 °C(Predicted)
Flash Point	234.094°C
Vapor Presure	0mmHg at 25°C
pKa	13.75±0.30(Predicted)
Storage Condition	under inert gas (nitrogen or Argon) at 2-8°C
Refractive Index	1.783

5-nitro-2H-indazole-3-carboxaldehyde - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24/25 - Avoid contact with skin and eyes.
Hazard Note	Irritant

5-nitro-2H-indazole-3-carboxaldehyde - Reference Information

application

5-nitroindole-3-formaldehyde can be used as an intermediate in pharmaceutical synthesis, can be prepared from 5-nitro-1H-indole as a reaction raw material, can be used to prepare new 3, 5-disubstituted 1H-indole derivatives, and have good inhibitory activity on pancreatic cancer cell line BxPC-3.

preparation

POCl3(9.2ml,98.5mmol) was added dropwise to DMF(9.5ml,123.1mmol) at 0 ℃, after stirring for 0.5h, 5-nitro-1H-indole (2.0g,12.3mmol) was added to the reaction solution, and then reacted at room temperature for 1.5h. Then pour the reaction solution into a large amount of ice water and adjust the pH to 7 with 6N NaOH, then extract (× 3) with ethyl acetate and concentrate to obtain 2.34g of gray solid 5-nitroindole -3-formaldehyde with 98% yield and 95.2% purity.

Last Update：2024-04-10 22:29:15