1-(4-Fluorophenyl)ethanol

Base Information

• Chemical Name: 1-(4-Fluorophenyl)ethanol
• CAS No.: 403-41-8
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• Hs Code.: 29062990
• European Community (EC) Number: 206-959-3
• NSC Number: 2983
• Nikkaji Number: J213.661I
• Mol file: 403-41-8.mol

Synonyms:1-(4-fluorophenyl)ethanol;2-para-fluorophenylethanol

Chemical Property of 1-(4-Fluorophenyl)ethanol

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.0829mmHg at 25°C
• Melting Point: 9.3ºC
• Refractive Index: n20/D 1.501(lit.)
• 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.: 2-8°C
• 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， F
• Hazard Codes: Xi,F,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)O

Technology Process of 1-(4-Fluorophenyl)ethanol

There total 169 articles about 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: 98.0%

2-(1-(4-fluorophenyl)ethoxy)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → 1-(4-Fluorophenyl)ethanol (403-41-8)

Guidance literature:

With silica gel; In hexane; ethyl acetate;

DOI:10.1002/anie.201607579

Reference yield: 96.0%

4-fluorostyrene oxide (18511-62-1,53631-23-5,134356-73-3,134356-74-4) → 1-(4-Fluorophenyl)ethanol (403-41-8)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen; In toluene; at 100 ℃; for 24h; under 37503.8 Torr; regioselective reaction;

DOI:10.1021/acs.orglett.9b03995

Reference yield: 92.0%

4-fluorostyrene oxide (18511-62-1,53631-23-5,134356-73-3,134356-74-4) → 1-(4-Fluorophenyl)ethanol (403-41-8) + 2-(4-Fluorophenyl)ethanol (7589-27-7)

Guidance literature:

With dibutylmagnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 40 ℃; for 24h; regioselective reaction;

DOI:10.1021/jacs.0c05917

upstream raw materials:

methyl magnesium iodide

4-fluorobenzaldehyde

methylmagnesium bromide

1-(4-fluorophenyl)ethanone

Downstream raw materials:

1.1-Dichlor-3--buten-(1)

1-(1-chloroethyl)-4-fluorobenzene

4,4'-(1,1'-oxybis(ethane-1,1-diyl))bis(fluorobenzene)

1-(4-fluorophenyl)ethyl bromide

Refernces

• 1、 Cesari, Cristiana,Mazzoni, Rita,Müller-Bunz, Helge,Albrecht, Martin. "Ruthenium(0) complexes with triazolylidene spectator ligands: Oxidative activation for (de)hydrogenation catalysis". . p. 256 - 262. Retrieved 2015.
• 2、 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.
• 3、 Soga, Nene,Yoshiki, Tomo,Sato, Aoi,Kawamoto, Takuji,Ryu, Ilhyong,Matsubara, Hiroshi. "Borane evolution and its application to organic synthesis using the phase-vanishing method". supporting information. . Retrieved 2021/03/26.