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

CAS No.
877397-65-4
Chemical Name:
(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol
Synonyms
(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
Molecular Formula:
C8H7Cl2FO
Molecular Weight:
209.04
MDL Number:
MFCD09863793
MOL File:
877397-65-4.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-27 23:08:14
Product description Number Pack Size Price
S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 273277 1g $319
S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 273277 2g $438
S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 273277 5g $602
S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 273277 10g $814
S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 273277 25g $1097
More product size

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

Boiling point 261.3±35.0 °C(Predicted)
Density 1.406±0.06 g/cm3(Predicted)
storage temp. 2-8°C
pka 13.30±0.20(Predicted)
form Solid
color 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 DataBase Reference 877397-65-4

SAFETY

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H317-H319-H335
Precautionary statements  P261-P280a-P304+P340-P305+P351+P338-P405-P501a
HazardClass  IRRITANT
HS Code  2906290090
REACH Registrations Active
NFPA 704
1
2 0

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol price More Price(67)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Usbiological 273277 S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 877397-65-4 1g $319 2026-06-03 Buy
Usbiological 273277 S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 877397-65-4 2g $438 2026-06-03 Buy
Usbiological 273277 S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 877397-65-4 5g $602 2026-06-03 Buy
Usbiological 273277 S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 877397-65-4 10g $814 2026-06-03 Buy
Usbiological 273277 S-1-(2,6-Dichloro-3-fluorophenyl)ethanol Asreported 877397-65-4 25g $1097 2026-06-03 Buy
Product number Packaging Price Buy
273277 1g $319 Buy
273277 2g $438 Buy
273277 5g $602 Buy
273277 10g $814 Buy
273277 25g $1097 Buy

(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Chemical Properties,Uses,Production

Uses

(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).

Uses

(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 synthesis

References

[1] Patent: CN105237346, 2016, A. Location in patent: Paragraph 0050; 0051; 0052; 0053; 0054; 0055; 0056-0061
[2] Patent: WO2012/48259, 2012, A2. Location in patent: Page/Page column 38-39
[3] Patent: WO2012/48258, 2012, A2. Location in patent: Page/Page column 31-32
[4] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 21, p. 6804 - 6820
[5] Patent: WO2013/17989, 2013, A1

290835-85-7
877397-65-4
Synthesis of (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol from 2,6-Dichloro-3-fluoroacetophenone
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(S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol Spectrum

BenzeneMethanol,2,6-dichloro-3-fluoro-a-Methyl-, (aS)- (1S)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol (S)-1-(2,6-dichloro-4-fluorophenyl)ethanol (1S)-1-(2,6-Dichloro-3-fluorophenyl)ethane-1-ol (aS)-2,6-Dichloro-3-fluoro-a-methyl-benzenemethanol -1-(2,6-Dichloro-3-fluorophenyl) (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol (S)-1-(2,6-Dichloro-3-fluorophenyl)ethano JACS-877397-65-4 (S)-1-(2,6-DichL Benzenemethanol, 2,6-dichloro-3-fluoro-α-methyl-, (αS)- (S)-1-(2,6-Dichloro-3-fluorophenyl)ethanol ISO 9001:2015 REACH Crizotinib Interm 7654 (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol (S)-l-(2,6-Dichl〇T〇-3 -fluorophenyl)ethanolethanol (S)-1-(2,6-dichloro-3-fluorophenyl)ethan-1-ol 877397-65-4 877399-65-4 Aromatic Ring Chiral Compounds