(S)-1-(2-Fluorophenyl)ethanol

Base Information

• Chemical Name: (S)-1-(2-Fluorophenyl)ethanol
• CAS No.: 171032-87-4
• Molecular Formula: C8H9 F O
• Molecular Weight: 140.157
• Hs Code.: 2906290090
• European Community (EC) Number: 692-700-3
• Nikkaji Number: J1.367.153B
• Mol file: 171032-87-4.mol

Synonyms:(S)-1-(2-Fluorophenyl)ethanol;171032-87-4;(1S)-1-(2-fluorophenyl)ethanol;(1S)-1-(2-fluorophenyl)ethan-1-ol;MFCD03092992;SCHEMBL213828;(s)-1-(o-fluorophenyl)ethanol;SXFYVXSOEBCFLV-LURJTMIESA-N;(s)-1-(2-fluoro-phenyl)-ethanol;BCP12488;(5)-1-(2-Fluoro-phenyl)-ethanol;SC1242;AKOS016843848;(S)-1-(2-Fluorophenyl)ethanol, 98%;AS-54586;CS-0044022;EN300-1837803;A881960

Chemical Property of (S)-1-(2-Fluorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.297mmHg at 25°C
• Boiling Point: 193℃
• PKA: 13.95±0.20(Predicted)
• Flash Point: 88℃
• PSA: 20.23000
• Density: 1.123
• 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: 105

Purity/Quality:

99% ^*data from raw suppliers

(S)?-?1-?(2-?Fluorophenyl)?ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1F)O
• Isomeric SMILES: C[C@@H](C1=CC=CC=C1F)O
• Uses: (S)?-?1-?(2-?Fluorophenyl)?ethanol is a building block used in organic synthesis such as JN403, a novel nicotinic acetylcholine receptor α7 agonist.

Technology Process of (S)-1-(2-Fluorophenyl)ethanol

There total 16 articles about (S)-1-(2-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: 100.0%

2'-Fluoroacetophenone (445-27-2) → (1S)-1-(2-fluorophenyl)ethanol (171032-87-4) + (R)-1-(2-fluorophenyl)ethanol (162427-79-4)

Guidance literature:

With RuBr₂[(S,S)-2,4-bis(diphenylphosphino)pentane](2-picolylamine); potassium tert-butylate; hydrogen; In ethanol; at 40 ℃; for 19h; under 7600.51 Torr; Inert atmosphere; Autoclave;

Reference yield: 100.0%

2'-Fluoroacetophenone (445-27-2) → (1S)-1-(2-fluorophenyl)ethanol (171032-87-4)

Guidance literature:

With [((R,R)-diphenylethylenediamine)((R)-Binap)dichlororuthenium(II)]; potassium tert-butylate; hydrogen; In isopropyl alcohol; at 26 - 30 ℃; for 3h; under 3040 Torr;

DOI:10.1021/ja983257u

Reference yield: 100.0%

→ (1S)-1-(2-fluorophenyl)ethanol (171032-87-4)

Guidance literature:

With RuBr₂[(S,S)-2,4-bis(diphenylphosphino)pentane](2-aminomethyl-3,5-dimethylpyridine); potassium tert-butylate; hydrogen; In ethanol; at 40 ℃; for 19h; under 7600.51 Torr; Inert atmosphere; Autoclave;

upstream raw materials:

2'-Fluoroacetophenone

2-fluorostyrene

1-(2-fluorophenyl)ethanol

trimethylaluminum

Downstream raw materials:

(S)-(-)-1-(2-fluorophenyl)ethyl N,N-diisopropylcarbamate

2-amino-5-{[(1S)-1-(2-fluorophenyl)ethyl]thio}[1,3]thiazolo[4,5-d]pyrimidin-7-ol

7-chloro-5-{[(1S)-1-(2-fluorophenyl)ethyl]thio}[1,3]thiazolo[4,5-d]pyrimidin-2-amine

6-amino-2-{[(1S)-1-(2-fluorophenyl)ethyl]thio}pyrimidin-4-ol

Refernces

• 1、 Zhang, Lin,Zhang, Ling,Chen, Qian,Li, Linlin,Jiang, Jian,Sun, Hao,Zhao, Chong,Yang, Yuanyong,Li, Chun. "Cinchona-Alkaloid-Derived NNP Ligand for Iridium-Catalyzed Asymmetric Hydrogenation of Ketones". supporting information. p. 415 - 419. Retrieved 2022/01/12.
• 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.