4-메틸설포닐페닐아세트산

4-메틸설포닐페닐아세트산
4-메틸설포닐페닐아세트산 구조식 이미지
카스 번호:
90536-66-6
한글명:
4-메틸설포닐페닐아세트산
동의어(한글):
4-메틸설포닐페닐아세트산
상품명:
4-Methylsulphonylphenylacetic acid
동의어(영문):
TIMTEC-BB SBB009970;Etoricoxib?USP RC B;Etocoxib impurity 2;4-(Methylsulfonyl)ph;Etoricoxib impurity M;OTHER BUILDING BLOCKS;Etoricoxib Impurity 28;4-MESYLPHENYLACETIC ACID;4-Mesylbenzeneacetic acid;Etoricoxib Intermediate 5
CBNumber:
CB8339797
분자식:
C9H10O4S
포뮬러 무게:
214.24
MOL 파일:
90536-66-6.mol

4-메틸설포닐페닐아세트산 속성

녹는점
136-140 °C(lit.)
끓는 점
324.37°C (rough estimate)
밀도
1.4230 (rough estimate)
굴절률
1.6000 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체
물리적 상태
단단한 모양
산도 계수 (pKa)
3.90±0.10(Predicted)
색상
흰색에서 연한 노란색
수용성
근소한
BRN
2646649
CAS 데이터베이스
90536-66-6(CAS DataBase Reference)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36
안전지침서 26
WGK 독일 3
위험 참고 사항 Irritant
HS 번호 29309090
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
예방조치문구:
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
0
2 0

4-메틸설포닐페닐아세트산 MSDS


4-Methylsulphonylphenylacetic acid

4-메틸설포닐페닐아세트산 C화학적 특성, 용도, 생산

화학적 성질

yellow to beige-brown crystalline powder

용도

4-(Methylsulfonyl)phenylacetic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

제조 방법

synthesis of 4-(Methylsulfonyl)phenylacetic acid: 1-(4-Methanesulfonyl-phenyl)-ethanone (20 mmol), morpholine (60 mmol) and elemental sulfur (40 mmol) were added in a round-bottom flask and refluxed for 2 h at 398 K. A 3N solution of NaOH (20 ml) was then added, and the reaction mixture refluxed for an additional 30 min. After cooling, the mixture was filtered and the filtrate was acidified with HCl to pH 6. The solution was again filtered off and washed with ethyl acetate. The resulting aqueous fraction was finally acidified with diluted HCl, to yield the pure product as a white solid. Crystals suitable for X-ray analysis were obtained by slow evaporation of an ethanol/water (1:1 v/v) solution.

주요 응용

4-(Methylsulfonyl)phenylacetic Acid is an intermediate used to prepare heterocyclic diaryl compounds as selective COX-2 inhibitors. It is also used to synthesize hydroxyfuranones as antioxidants and antiinflammatory agents.

4-메틸설포닐페닐아세트산 준비 용품 및 원자재

원자재

준비 용품


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