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

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

CAS-Nr877397-65-4

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

CBNumberCB11503932

SummenformelC8H7Cl2FO

Molgewicht209.04

MOL-Datei877397-65-4.mol

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

Siedepunkt	261.3±35.0 °C(Predicted)
Dichte	1.406±0.06 g/cm3(Predicted)
storage temp.	2-8°C
pka	13.30±0.20(Predicted)
Aggregatzustand	Solid
Farbe	White
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 Datenbank	877397-65-4

Sicherheit

HazardClass	IRRITANT
HS Code	2906290090

Gefahreninformationscode (GHS)

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden
(S) -1- (2,6-dichloro-3-fluorophenyl) ethanol(C8H7C12FO) is synthesized (R)-3-[l-(2, 6-dichloro-3-fluoro-benzene)- The key intermediate of ethoxy-5- (l-piperidine-4-hydroxy-1 hydrogen-pyrazole-4-hydroxy) -pyrimidine-2-indane. And (R)-3-[l-(2,6-dichloro-3-fluoro-benzene)-ethoxy-5-(l-piperidine-4-hydroxy-1 hydrogen-pyrazole-4-hydroxy) -Pyrimidine-2-indane is a small molecule kinase inhibitor for the treatment of locally advanced or metastatic non-small cell lung cancer (NSCLC) positive for anaplastic lymphohematokinase (ALK).
Verwenden
(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.
Verwenden
(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.
Synthese
(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 Upstream-Materialien And Downstream Produkte

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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