1-(4-플루오로페닐카르바모일)시클로프로판카르복실산

1-(4-플루오로페닐카르바모일)시클로프로판카르복실산
1-(4-플루오로페닐카르바모일)시클로프로판카르복실산 구조식 이미지
카스 번호:
849217-48-7
한글명:
1-(4-플루오로페닐카르바모일)시클로프로판카르복실산
동의어(한글):
1-(4-플루오로페닐카르바모일)시클로프로판카르복실산
상품명:
1-((4-Fluorophenyl)carbamoyl)cyclopropanecarboxylic acid
동의어(영문):
1-((4-FL;Cabozantinib impurities4;InterMediate of Cabozantinib;Intermediate2 of Cabozantinib;FLUOROPHENYLCARBAMOYL)CYCLOPROPANECARBOXYLIC ACID;1-(4-FLUOROPHENYLCARBAMOYL)CYCLOPROPANECARBOXYLIC ACID;1-(5-FLUOROPHENYLCARBAMOYL)CYCLOPROPANECARBOXYLIC ACID;((4-fluorophenyl)carbamoyl)cyclopropane carboxylic acid;1-(4- fluorophenyl formamido) cyclopropanecarboxylic acid;1-{[(4-fluorophenyl)aMino]carbonyl}cyclopropanecarboxylic acid
CBNumber:
CB52460100
분자식:
C11H10FNO3
포뮬러 무게:
223.2
MOL 파일:
849217-48-7.mol

1-(4-플루오로페닐카르바모일)시클로프로판카르복실산 속성

녹는점
173.0 to 177.0 °C
끓는 점
475.2±30.0 °C(Predicted)
밀도
1.521
저장 조건
Sealed in dry,Room Temperature
용해도
메탄올에 용해됨
물리적 상태
powder to crystal
산도 계수 (pKa)
3.48±0.20(Predicted)
색상
흰색에서 거의 흰색
InChI
InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-9(14)11(5-6-11)10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKey
PFMAFXYUHZDKPY-UHFFFAOYSA-N
SMILES
C1(C(NC2=CC=C(F)C=C2)=O)(C(O)=O)CC1
안전
  • 위험 및 안전 성명
HS 번호 2924.29.9500
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
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.
P332+P313 피부 자극이 생기면 의학적인 조치· 조언을 구하시오.
P337+P313 눈에 대한 자극이 지속되면 의학적인 조치· 조언를 구하시오.
NFPA 704
0
2 0

1-(4-플루오로페닐카르바모일)시클로프로판카르복실산 C화학적 특성, 용도, 생산

화학적 성질

White powdery substance.

용도

1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid is a useful research chemical that can be used as a cabozantinib intermediate.

Synthesis

Cyclopropyl-1,1-dicarboxylic acid(10 g, 77 mmol) in THF (100 mL) was cooled in an ice-water bath, and Triethylamine (8.0 g, 79 mmol) was added dropwise. The temperature of the ice bath during the dropping process is controlled below 10 degrees. The resulting solution was stirred for 30 minutes, and then thionyl chloride (SOCl2, 9.0 g, 76 mmol). Then, dropwise, 4-fluoroaniline (9.0 mL) of THF (30 mL) was added. The ice bath temperature during the whole dripping process is controlled below 10 degrees. The stirring continued for 4 hours, and the reaction was warmed to room temperature. The reaction was diluted with 200 mL of EtOAc And then washed with aqueous NaOH (1.0 M, 50 mL), water (40 mL), and saturated brine (40 mL). The resulting organic solution was dried over Na2SO4, suction filtered, and evaporated to ~ 30 mL. To the resulting viscous liquid was added heptane (200 mL), and a lot of flaky solid precipitated. Filtration and drying gave 1-((4-Fluorophenyl)carbamoyl) cyclopropane carboxylic acid (15.8 g, 93 percent).

1-(4-플루오로페닐카르바모일)시클로프로판카르복실산 준비 용품 및 원자재

원자재

준비 용품


1-(4-플루오로페닐카르바모일)시클로프로판카르복실산 공급 업체

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