ChemicalBook--->CAS DataBase List--->885521-46-0

885521-46-0

885521-46-0 Structure

885521-46-0 Structure
IdentificationBack Directory
[Name]

3-IODOINDAZOLE -5-CARBOXYLIC ACID
[CAS]

885521-46-0
[Synonyms]

3-Iodoindazole-5-carboxyl...
3-IODOINDAZOLE -5-CARBOXYLIC ACID
3-iodo-2H-indazole-5-carboxylic acid
3-Iodo-5-(1H)indazole carbocylic acid
1H-Indazole-5-carboxylic acid, 3-iodo-
[Molecular Formula]

C8H5IN2O2
[MDL Number]

MFCD07781585
[MOL File]

885521-46-0.mol
[Molecular Weight]

288.04
Chemical PropertiesBack Directory
[Boiling point ]

512.1±30.0 °C(Predicted)
[density ]

2.220±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

3.86±0.30(Predicted)
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

3-IODOINDAZOLE -5-CARBOXYLIC ACID(885521-46-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

5-Carboxyindazole hydrochloride

61700-61-6

3-IODOINDAZOLE -5-CARBOXYLIC ACID

885521-46-0

General procedure for the synthesis of 3-iodo-5-(1H)indazolecarboxylic acid from indazole-5-carboxylic acid hydrochloride: 1H-indazole-5-carboxylic acid (200 mg, 1.23 mmol), N,N-dimethylformamide (3 mL), potassium hydroxide (138 mg, 2.46 mmol), and iodine (470 mg, 1.85 mmol) were added to a 25 mL round bottomed flask. The reaction mixture was stirred at 25°C for 3 hours. After the reaction was completed, the reaction was quenched by adding 10 mL of Na2S2O3 solution. The pH of the reaction solution was adjusted with 10% hydrochloric acid solution to 6. The resulting solid was collected by filtration. Finally 300 mg (84% yield) of 3-iodo-1H-indazole-5-carboxylic acid was obtained as a white solid.

[References]

[1] Patent: WO2016/26549, 2016, A1. Location in patent: Page/Page column 91
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