6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile

6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 구조식 이미지
카스 번호:
2068065-16-5
상품명:
6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile
동의어(영문):
6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile;Pyrazolo[1,5-a]pyridine-3-carbonitrile, 6-bromo-4-hydroxy-
CBNumber:
CB45441866
분자식:
C8H4BrN3O
포뮬러 무게:
238.04
MOL 파일:
2068065-16-5.mol

6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 속성

밀도
1.88±0.1 g/cm3(Predicted)
산도 계수 (pKa)
6.41±0.30(Predicted)
InChI
InChI=1S/C8H4BrN3O/c9-6-1-7(13)8-5(2-10)3-11-12(8)4-6/h1,3-4,13H
InChIKey
IFUVDUFAFVWZOT-UHFFFAOYSA-N
SMILES
C12=C(C#N)C=NN1C=C(Br)C=C2O

안전

6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile C화학적 특성, 용도, 생산

용도

6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile is a pharmaceutical intermediate used in the preparation of Selpercatinib, an FDA-approved drug for the treatment of RET-positive advanced non-small cell lung cancer (NSCLC), thyroid cancer and certain other cancers

Synthesis

At room temperature, add 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile (50g, 198.36mmol) and water (16.5mL, 916mmol) in a 1L single-neck flask in sequence, Sodium hydroxide (16.03g, 396.8mmol), DMA (500mL), stirred at room temperature for 5min, then transferred to 0°C, slowly added dodecanethiol (97mL, 397mmol), after the addition, the reaction was moved to 45°C overnight. Pour the reaction solution into 3L ice water, slowly add saturated citric acid water to adjust the PH=5, stir for half an hour, and then stand still filter, wash the filter cake with water and petroleum ether several times, and dry at 60°C to obtain 44.1g of yellow solid 6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile (6-Bromo-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile).

6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 준비 용품 및 원자재

원자재

준비 용품


6-Bromo-4-hydroxy-pyrazolo[1,5-a]pyridine-3-carbonitrile 공급 업체

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Zibo Hangyu Biotechnology Development Co., Ltd
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