5-Chlorothiophene-2-carboxylic acid

5-Chlorothiophene-2-carboxylic acid 구조식 이미지
카스 번호:
24065-33-6
상품명:
5-Chlorothiophene-2-carboxylic acid
동의어(영문):
5-Chlorothiophene-2-carboxylic;5-chloro-2-thiophenecarboxylicaci;5-Chlorothiophen-2-carboxylic acid;5-CHLORO-2-THIOPHENECARBOXYLIC ACID;NSC 14776;AKOS B000092;Rivaroxaban F;2-Amino-9-picoline;RARECHEM AL BE 0303;TIMTEC-BB SBB003937
CBNumber:
CB3189269
분자식:
C5H3ClO2S
포뮬러 무게:
162.59
MOL 파일:
24065-33-6.mol
MSDS 파일:
SDS

5-Chlorothiophene-2-carboxylic acid 속성

녹는점
154-158 °C(lit.)
끓는 점
287.0±20.0 °C(Predicted)
밀도
1.466 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
3.32±0.10(Predicted)
물리적 상태
가루
색상
크림색
BRN
118361
InChI
InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
QZLSBOVWPHXCLT-UHFFFAOYSA-N
SMILES
C1(C(O)=O)SC(Cl)=CC=1
CAS 데이터베이스
24065-33-6(CAS DataBase Reference)
NIST
5-Chloro-2-thiophenecarboxylic acid(24065-33-6)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 36-43-36/37/38
안전지침서 26-36-37/39
WGK 독일 3
RTECS 번호 XM8400000
위험 등급 IRRITANT
HS 번호 29349990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H317 알레르기성 피부 반응을 일으킬 수 있음 피부 과민성 물질 구분 1 경고 GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
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:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
P302+P352 피부에 묻으면 다량의 물로 씻으시오.
P305+P351+P338 눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
NFPA 704
0
2 0

5-Chlorothiophene-2-carboxylic acid C화학적 특성, 용도, 생산

개요

5-Chlorothiophene-2-carboxylic acid is a biochemical reagent that can be used as a biological material or organic compound for life science-related research. It is also used as a ligand to synthesise the New Mono and Binuclear Ruthenium(II) Complexes[1].

화학적 성질

White to light yellow crystal powder

용도

5-Chlorothiophene-2-carboxylic acid can be used in the synthesis of the following:

Synthesis

The compound 5-chlorothiophene-2-carboxylic acid is a crucial intermediate in the synthesis of rivaroxaban. Due to its significance, numerous researchers have investigated various methods of synthesizing it. The synthesis of this compound involves the utilization of different starting materials, namely, 2-chlorothiophene, 2-chloro-5-bromothiophene, and 5-chloro-2-acetylthiophene, depending on the specific approach employed.undefined

1. This method takes 2-chlorothiophene as an initial raw material, carrying out Friedel-crafts acylation with trichloroacetyl chloride under the action of aluminum trichloride to generate 2-trichloroacetyl-5-chlorothiophene, and then carrying out liquid alkali hydrolysis to obtain a target product.
2. This method reacts 5-chloro-2-bromothiophene with magnesium to generate a Grignard reagent, introducing carbon dioxide for inserting carbonyl and performing acid-base treatment to obtain a product.
3. 5-chloro-2-acetylthiophene is used as a raw material and is oxidized by sodium chlorite and potassium dihydrogen phosphate system to obtain a target compound.

5-Chlorothiophene-2-carboxylic acid 준비 용품 및 원자재

원자재

준비 용품


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