(S)-1-(4-Fluorophenyl)ethanol

Base Information

• Chemical Name: (S)-1-(4-Fluorophenyl)ethanol
• CAS No.: 101219-73-2
• Molecular Formula: C₈H₉FO
• Molecular Weight: 140.157
• Hs Code.: 2906299090
• European Community (EC) Number: 624-798-0
• Nikkaji Number: J620.332I
• Mol file: 101219-73-2.mol

Synonyms:(S)-1-(4-Fluorophenyl)ethanol;101219-73-2;(1S)-1-(4-fluorophenyl)ethanol;(1S)-1-(4-Fluorophenyl)ethan-1-ol;(S)-4-Fluoro-alpha-methylbenzyl alcohol;(S)-1-(4-fluorophenyl)-ethanol;MFCD03092998;SCHEMBL502826;AMY10791;SC1236;(1S)-1-(4-Fluorophenyl)ethan-1-o;AKOS016842805;AC-9528;CS-W011033;PS-9042;(S)-4-Fluoro- alpha -methylbenzyl alcohol;(S)-(-)-4-fluoro-alpha-methylbenzyl alcohol;(S)-4-Fluoro-alpha-methylbenzyl alcohol, 97%;EN300-1846977;Benzenemethanol, 4-fluoro-alpha-methyl-, (alphaS)-;J-000345

Chemical Property of (S)-1-(4-Fluorophenyl)ethanol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Refractive Index: n20/D 1.502
• Boiling Point: 216.2 °C at 760 mmHg
• PKA: 14.36±0.20(Predicted)
• Flash Point: 90.6 °C
• PSA: 20.23000
• Density: 1.123 g/cm³
• LogP: 1.87900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

(-)-1-(4-Fluorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22-22
• Safety Statements: 36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)O
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)F)O
• Uses: (S)-4-Fluoro-α-methylbenzyl alcohol can be used as a starting material to synthesize a CCR5 antagonist named MLN1251.Along with its ortho- and non-fluorine substituted analogs, it can be used to study the role of fluorine substitution in chiral discrimination in molecular complexes.

Technology Process of (S)-1-(4-Fluorophenyl)ethanol

There total 102 articles about (S)-1-(4-Fluorophenyl)ethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-(4-fluorophenyl)ethanone (403-42-9) → (S)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-68-5,101219-73-2)

Guidance literature:

With hydrogen; sodium methylate; [(Sp)-2-(Et-S-CH₂)-1-Ph₂P-ferrocene][Ir(cod)Cl] complex; In isopropyl alcohol; at 10 ℃; for 8h; under 22502.3 Torr;

DOI:10.1002/adsc.200600350

Reference yield: 49.0%

1-(4-Fluorophenyl)ethanol (403-41-8) → 1-(4-fluorophenyl)ethanone (403-42-9) + (R)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-73-2,101219-68-5)

Guidance literature:

With Candida albicans CCT 0776; In water; at 30 ℃; for 1h; enantioselective reaction; Resolution of racemate; Enzymatic reaction;

DOI:10.1016/j.tetasy.2016.03.008

Reference yield:

1-(4-Fluorophenyl)ethanol (403-41-8) → (S)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-68-5,101219-73-2) + 1-(4-fluorophenyl)ethanone (403-42-9) + (R)-1-(4-fluorophenyl)ethan-1-ol (403-41-8,101219-73-2,101219-68-5)

Guidance literature:

With sodium isopropylate; acetone; [RuCl₂(PPh₃)(ferrocenyloxazolinylphosphine)]; In isopropyl alcohol; at 50 ℃; for 0.583333h;

DOI:10.1021/jo0345087

upstream raw materials:

1-(4-fluorophenyl)ethanone

R-(-)-2-(4-fluorophenyl)oxirane

[R]-1-chloro-2-(4-fluorophenyl)-2-ethanol

C₁₄H₂₃FO₃Si

Downstream raw materials:

1-((S)-1-allyloxyethyl)-4-fluorobenzene

1-(4-fluorophenyl)ethyl-phenylselane

1-(4-fluorophenyl)ethyl-phenylselane

C₉H₁₁FO₃S

Refernces

• 1、 Tran, Hai N.,Stanley, Levi M.. "Nickel-Catalyzed Enantioselective Hydroboration of Vinylarenes". supporting information. p. 395 - 399. Retrieved 2021/12/27.
• 2、 Doherty, Simon,Knight, Julian G.,Alshaikh, Hind,Wilson, James,Waddell, Paul G.,Wills, Corinne,Dixon, Casey M.. "Arene-Immobilized Ru(II)/TsDPEN Complexes: Synthesis and Applications to the Asymmetric Transfer Hydrogenation of Ketones". supporting information. p. 226 - 235. Retrieved 2020/12/31.