1-(2-Fluorophenyl)ethanol

Base Information

• Chemical Name: 1-(2-Fluorophenyl)ethanol
• CAS No.: 445-26-1
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• Hs Code.: 2906290090
• European Community (EC) Number: 207-155-5
• DSSTox Substance ID: DTXSID50963232
• Nikkaji Number: J196.136E
• Mol file: 445-26-1.mol

Synonyms:1-(2-Fluorophenyl)ethanol;445-26-1;1-(2-fluorophenyl)ethan-1-ol;2-Fluorophenylmethylcarbinol;2-Fluoro-alpha-methylbenzyl alcohol;o-Fluorophenylmethylcarbinol;2-Fluorophenyl methyl carbinol;EINECS 207-155-5;MFCD00014401;2-FLUOROPHENYLETHANOL;MFCD03092991;1-(2'-fluorophenyl)ethanol;SCHEMBL625219;SCHEMBL14088059;DTXSID50963232;2fluoro-alpha-methylbenzyl alcohol;AKOS000248908;AKOS016842819;SB34081;AS-31708;SY005055;SY040023;Benzenemethanol, 2-fluoro-.alpha.-methyl-;CS-0154084;FT-0602228;FT-0605110;FT-0605279;EN300-127797;A810372;A826611;A872522;W-106191;1-(2-Fluorophenyl)ethan-1-ol, 2-Fluorophenylmethylcarbinol

Chemical Property of 1-(2-Fluorophenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear to pale yellow liquid
• Vapor Pressure: 0.0444mmHg at 25°C
• Refractive Index: n20/D 1.5060(lit.)
• Boiling Point: 193.1 °C at 760 mmHg
• PKA: 13.95±0.20(Predicted)
• Flash Point: 87.9 °C
• PSA: 20.23000
• Density: 1.124 g/cm³
• LogP: 1.87900
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Immiscible in water.
• 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

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1F)O

Technology Process of 1-(2-Fluorophenyl)ethanol

There total 11 articles about 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) → 1-(2-fluorophenyl)ethanol (445-26-1)

Guidance literature:

2'-Fluoroacetophenone; With C₁₀₇H₉₀Cl₂N₁₀P₄Ru₂⁽²⁺⁾*2Cl^(1-); In isopropyl alcohol; at 82 ℃; for 0.166667h; Inert atmosphere;

With potassium isopropoxide; In isopropyl alcohol; for 2h; Catalytic behavior; Inert atmosphere;

DOI:10.1021/acs.organomet.7b00682

Reference yield: 90.0%

(2-fluorophenyl)acetylene (766-49-4) → 1-(2-fluorophenyl)ethanol (445-26-1)

Guidance literature:

With silver hexafluoroantimonate; 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Au(IPr)Cl; water; In isopropyl alcohol; at 70 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja307145e

Reference yield: 84.0%

methylmagnesium bromide (75-16-1) + 2-Fluorobenzaldehyde (446-52-6) → 1-(2-fluorophenyl)ethanol (445-26-1)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 24h; Microwave irradiation; Sealed tube;

DOI:10.1021/acs.orglett.7b03441

upstream raw materials:

methyl magnesium iodide

2-Fluorobenzaldehyde

methylmagnesium bromide

2-fluorostyrene

Downstream raw materials:

7-chloro-4-[1-(2-fluorophenyl)ethoxy]quinoline

2'-Fluoroacetophenone

(1S)-1-(2-fluorophenyl)ethanol

(R)-1-(2-fluorophenyl)ethanol

Refernces

• 1、 Sánchez, Práxedes,Hernández-Juárez, Martín,álvarez, Eleuterio,Paneque, Margarita,Rendón, Nuria,Suárez, Andrés. "Synthesis, structure and reactivity of Pd and Ir complexes based on new lutidine-derived NHC/phosphine mixed pincer ligands". . p. 16997 - 17009. Retrieved 2016.
• 2、 Jia, Wei-Guo,Zhi, Xue-Ting,Li, Xiao-Dong,Zhou, Jun-Peng,Zhong, Rui,Yu, Haibo,Lee, Richmond. "Postsynthetic Modification of Half-Sandwich Ruthenium Complexes by Mechanochemical Synthesis". . p. 4313 - 4321. Retrieved 2021/05/04.
• 3、 Huang, Chia-Yu,Li, Chao-Jun,Li, Jianbin,Qiu, Zihang,Wang, Haining. "Metal-Free Direct Deoxygenative Borylation of Aldehydes and Ketones". supporting information. p. 13011 - 13020. Retrieved 2020/09/01.