5-Methyl-3,4-diphenylisoxazole

5-Methyl-3,4-diphenylisoxazole 구조식 이미지
카스 번호:
37928-17-9
상품명:
5-Methyl-3,4-diphenylisoxazole
동의어(영문):
5-Methyl-3;CAS:37928-17-9;Parecoxib Sodium-4;5-Methyl-3,4-diphenyl;Parecoxib Related Compound;5-Methyl-3,4-diphenylisoxazole;3,4-Diphenyl-5-methylisoxazole;Parecoxib SodiuM iMpurity PR-SM;Parecoxib SodiuM interMediate A;Isoxazole, 5-Methyl-3,4-diphenyl-
CBNumber:
CB52604537
분자식:
C16H13NO
포뮬러 무게:
235.28
MOL 파일:
37928-17-9.mol

5-Methyl-3,4-diphenylisoxazole 속성

녹는점
96.0 to 100.0 °C
끓는 점
340.1±21.0 °C(Predicted)
밀도
1.108±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
-2.53±0.50(Predicted)
색상
흰색에서 황백색까지
InChIKey
ZXIRUKJWLADSJS-UHFFFAOYSA-N
안전
  • 위험 및 안전 성명
HS 번호 2934.99.4400
그림문자(GHS):
신호 어:
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
예방조치문구:
NFPA 704
1
2 0

5-Methyl-3,4-diphenylisoxazole C화학적 특성, 용도, 생산

용도

5-Methyl-3,4-diphenylisoxazole is synthesis The key intermediate of Parecoxib Sodium (Parecoxib Sodium).Parecoxib Sodium is by the Pfizer of the U.S. The cox 2 inhibitor of company's research and development, listed in European Union in 2002, trade name Dynastat, is used for The short term therapy of postoperative pain.

Synthesis

Synthesis_37928-17-9
In four mouthfuls of round-bottomed flasks of a 1L add compound 2 (40g), methanol (400mL), 7.7% Aqueous sodium carbonate (400mL), is heated to 70 DEG C, after stirring reaction 2h, and TLC plate monitoring raw material Fundamental reaction is complete, and solution is divided into solid-liquid biphase, is extracted with ethyl acetate, collected organic layer, with anhydrous Sodium sulfate is dried, and vacuum obtains white solid, HPLC purity: 94.9% after being spin-dried for.White solid uses 40ml ethyl acetate and the mixed solvent recrystallization of 120ml normal hexane (1:3) again, Obtaining target compound is white solid 34.2g, yield 92%, HPLC purity: 99.7%.m.p.97-98??£? MS(m/z):236(M+H)+£?1H NMR(400MHz,CDCl3) |?:2.43(s,3H,-CH3), 7.19-7.43 (m, 10H ,-CH=).

5-Methyl-3,4-diphenylisoxazole 준비 용품 및 원자재

원자재

준비 용품


5-Methyl-3,4-diphenylisoxazole 공급 업체

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