ChemicalBook >제품 카탈로그 >제약 중간체>벌크 의약품 중간체>(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 구조식 이미지

카스 번호:: 877397-65-4

상품명:: (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol

동의어(영문):: (S)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol;(S)-1-(2,6-Dichloro-3-fluorophenyl)ethano;(S)-1-(2,6-DichL;JACS-877397-65-4;Crizotinib Interm 7654;-1-(2,6-Dichloro-3-fluorophenyl);(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol;(S)-1-(2,6-dichloro-4-fluorophenyl)ethanol;(1S)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol;(1S)-1-(2,6-Dichloro-3-fluorophenyl)ethane-1-ol

CBNumber:: CB11503932

분자식:: C8H7Cl2FO

포뮬러 무게:: 209.04

MOL 파일:: 877397-65-4.mol

속성

안전

용도

공급 업체 292

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 속성

끓는 점: 261.3±35.0 °C(Predicted)

밀도: 1.406±0.06 g/cm3(Predicted)

저장 조건: 2-8°C

산도 계수 (pKa): 13.30±0.20(Predicted)

물리적 상태: 고체

물리적 상태: 단단한 모양

색상: 하얀색

InChI: InChI=1/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/s3

InChIKey: JAOYKRSASYNDGH-UFLUHPNLNA-N

SMILES: [C@H](C1C(=CC=C(F)C=1Cl)Cl)(O)C |&1:0,r|

CAS 데이터베이스: 877397-65-4

안전

위험 및 안전 성명
위험 및 사전주의 사항 (GHS)

위험 등급	IRRITANT
HS 번호	2906290090

그림문자(GHS):

신호 어:

Warning

유해·위험 문구:

암호	유해·위험 문구	위험 등급	범주	신호 어	P- 코드
H315	피부에 자극을 일으킴	피부부식성 또는 자극성물질	구분 2	경고	P264, P280, P302+P352, P321,P332+P313, P362
H317	알레르기성 피부 반응을 일으킬 수 있음	피부 과민성 물질	구분 1	경고	P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
H319	눈에 심한 자극을 일으킴	심한 눈 손상 또는 자극성 물질	구분 2A	경고	P264, P280, P305+P351+P338,P337+P313P
H335	호흡 자극성을 일으킬 수 있음	특정 표적장기 독성 - 1회 노출;호흡기계 자극	구분 3	경고

예방조치문구:

P261	분진·흄·가스·미스트·증기·...·스프레이의 흡입을 피하시오.
P304+P340	흡입하면 신선한 공기가 있는 곳으로 옮기고 호흡하기 쉬운 자세로 안정을 취하시오.
P305+P351+P338	눈에 묻으면 몇 분간 물로 조심해서 씻으시오. 가능하면 콘택트렌즈를 제거하시오. 계속 씻으시오.
P405	밀봉하여 저장하시오.

NFPA 704

	1
2		0

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol C화학적 특성, 용도, 생산

용도

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol is an intermediate in the synthetic preparation of Crizotinib (C785000), a potent and selective dual inhibitor of mesenchymal-epithelial transition factor ( c-MET) kinase and anaplastic lymphoma kinase (ALK). Crizotinib is a potential antitumor agent.

Synthesis

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol is synthesised using (1S)-1-(2,6-dichloro-3-fluorophenyl)ethyl acetate as a raw material by chemical reaction. The specific synthesis steps are as follows:
Sodium methoxide (19 mmol; 0.5 M in methanol) was added slowly to compound S-2 (4.64 g, 18.8 mmol) under a nitrogen atmosphere at 0° C. The resulting mixture was stirred at room temperature for 4 hours. The solvent was evaporated and H2O (100 mL) was added. The cooled reaction mixture was neutralized with sodium acetate-acetic acid buffer solution to pH 7. Ethyl acetate (100 mL.x.2) was added to extract the aqueous solution. The combined organic layers were dried over Na2SO4, filtered, and evaporated to obtain S-1 as a white solid (4.36 g, 94.9percent yield); SFC-MS: 97percent ee. 1H NMR (400 MHz, chloroform-D) δ ppm 1.65 (d, J=6.8 Hz, 3 H) 5.58 (q, J=6.9 Hz, 1H) 6.96-7.10 (m, 1H) 7.22-7.36 (m, 1H).

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 준비 용품 및 원자재

원자재

2,6-Dichloro-3-fluoroacetophenone (R)-1-(2,6-Dichloro-3-fluorophenyl)ethanol

준비 용품

(R)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-2-tert-butyloxycarbonylaminopyridine

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 공급 업체

글로벌( 292)공급 업체

공급자	전화	이메일	국가	제품 수	이점
Shanghai Yingrui Biopharma Co.,Ltd	21-33585366	export01@shyrchem.com	CHINA	1320	58
SyncoZymes (Shanghai) Co., Ltd.,	+86-021-68187180-811 +86-13681683526	lchen@syncozymes.com	China	188	58
Hebei Mojin Biotechnology Co., Ltd	+8613288715578	sales@hbmojin.com	China	12456	58
Henan Bao Enluo International TradeCo.，LTD	+86-17331933971 +86-17331933971	deasea125996@gmail.com	China	2503	58
Henan Fengda Chemical Co., Ltd	+86-371-86557731 +86-13613820652	info@fdachem.com	China	7845	58
Frapp's ChemicalNFTZ Co., Ltd.	+86 (576) 8169-6106	sales@frappschem.com	China	885	50
Capot Chemical Co.,Ltd.	571-85586718 +8613336195806	sales@capotchem.com	China	29797	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-371-66670886	info@dakenam.com	China	15928	58
Beijing Cooperate Pharmaceutical Co.,Ltd	010-60279497	sales01@cooperate-pharm.com	CHINA	1811	55
Hangzhou FandaChem Co.,Ltd.	008657128800458; +8615858145714	fandachem@gmail.com	China	9348	55

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 관련 검색:

펜에틸알코올 2-메톡시 에탄올 1,1-다이클로로-1-플루오로에테인 에틸알코올 디페닐디클로로실란 초산에틸 디클로로메틸페닐실란 디클로로디플루오로메탄 2,2,2-TRIFLUOROETHANOL-D3 2-AMINO-1-PHENYLETHANOL Perfluoroalkyl alcohol (R)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine 4-(4-Bromopyrazol-1-yl)piperidine-1-carboxylic acid tert-butyl ester Crizotinib (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine 1-(2,6-DICHLOROPHENYL)ETHANOL (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol 1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHANOL