Identification | Back Directory | [Name]
1H-Pyrazole-3-carboxylic acid, 4-iodo-, methyl ester | [CAS]
136944-79-1 | [Synonyms]
MFCD09473436 methyl 4-iodo-1H-pyrazole-5-carboxylate 4-Iodo-1H-pyrazole-3-carboxylic acid methyl ester 1H-Pyrazole-3-carboxylic acid, 4-iodo-, methyl ester | [Molecular Formula]
C5H5IN2O2 | [MDL Number]
MFCD26797330 | [MOL File]
136944-79-1.mol | [Molecular Weight]
252.01 |
Chemical Properties | Back Directory | [Boiling point ]
338.5±22.0 °C(Predicted) | [density ]
2.083±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C, protect from light | [pka]
10.03±0.50(Predicted) | [Appearance]
White to off-white Solid |
Hazard Information | Back Directory | [Synthesis]
Methyl 1H-pyrazole-3-carboxylate (0.5 g, 4.3 mmol, 1.1 eq.) and N-iodosuccinimide (NIS) (0.97 g, 3.9 mmol, 1 eq.) were dissolved in acetonitrile (15 mL), and trifluoroacetic acid (0.1 mL) was added as a catalyst. The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, the mixture was concentrated to remove the solvent. The concentrated residue was partitioned between ethyl acetate (EtOAc) and 5% aqueous sodium bicarbonate (NaHCO3). The organic layer was separated, dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated. Finally, the residue was purified by silica gel column chromatography to afford the target product methyl 4-iodo-1H-pyrazole-3-carboxylate (0.61 g, 61% yield). | [References]
[1] Journal of Medicinal Chemistry, 2008, vol. 51, # 1, p. 159 - 166 [2] Patent: WO2018/11628, 2018, A1. Location in patent: Paragraph 00315 [3] Russian Chemical Bulletin, 2010, vol. 59, # 8, p. 1549 - 1555 |
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Company Name: |
ZEROSCHEM.CO.,LTD.
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Tel: |
10-61256048 13810278579 |
Website: |
http://www.zeroschem.com |
Company Name: |
3A Chemicals
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Tel: |
400-668-9898 |
Website: |
www.3achem.com |
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