4-Fluorophenethyl alcohol

Base Information

• Chemical Name: 4-Fluorophenethyl alcohol
• CAS No.: 7589-27-7
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• Hs Code.: 29062990
• European Community (EC) Number: 231-499-5
• UNII: 1LO8D3EB0N
• DSSTox Substance ID: DTXSID30226812
• Nikkaji Number: J246A
• Wikidata: Q27094585
• Metabolomics Workbench ID: 148167
• Mol file: 7589-27-7.mol

Synonyms:4-Fluorophenethyl alcohol;2-(4-Fluorophenyl)ethanol;7589-27-7;4-fluorophenylethanol;Benzeneethanol, 4-fluoro-;2-(4-Fluorophenyl)Ethan-1-Ol;MFCD00002898;4-Fluorophenethylic alcohol;Phenethyl alcohol, p-fluoro-;4-fluorobenzeneethanol;2-(4-Fuorophenyl)ethanol;1LO8D3EB0N;EINECS 231-499-5;AI3-36431;2-[4-Fluorophenyl]ethanol;4-Fluorophenethylalcohol;p-fluorophenethyl alcohol;4-fluorophenylethyl alcohol;UNII-1LO8D3EB0N;para-Fluorophenethyl alcohol;2-(4-fluorophenyl)-ethanol;SCHEMBL56520;2-(4-fluoro-phenyl)-ethanol;2-(4-Fluorophenyl)ethanol #;2-(4-fluorophenyl)ethyl alcohol;4-Fluorophenethyl alcohol, 97%;MWUVGXCUHWKQJE-UHFFFAOYSA-;DTXSID30226812;AKOS005063803;AM84232;CS-W004152;DB03669;PS-9036;4FA;AC-22742;SY016325;BB 0267975;F0624;FT-0608644;EN300-74912;A20650;Q-100813;Q27094585;F0001-1919;Z397587326;Benzeneethanol,4-fluoro-

Chemical Property of 4-Fluorophenethyl alcohol

Chemical Property:

• Appearance/Colour: colorless or yellowish liquid
• Vapor Pressure: 0.0994mmHg at 25°C
• Refractive Index: n20/D 1.507(lit.)
• Boiling Point: 213 °C at 760 mmHg
• PKA: 14.84±0.10(Predicted)
• Flash Point: 102.2 °C
• PSA: 20.23000
• Density: 1.13 g/cm³
• LogP: 1.36050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.063743068
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorophenethyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xn,Xi,F,C
• Statements: 36/37/38-21/22-34
• Safety Statements: 23-24/25-36/37/39-26-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCO)F
• Uses: 4-Fluorophenethyl alcohol was used to prepare 1-fluoro-4-(2-iodoethyl)benzene.

Technology Process of 4-Fluorophenethyl alcohol

There total 32 articles about 4-Fluorophenethyl alcohol 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: 94.0%

2-(4-fluorophenyl)acetamide (332-29-6) → 2-(4-Fluorophenyl)ethanol (7589-27-7)

Guidance literature:

With samarium diiodide; water; triethylamine; In tetrahydrofuran; at 23 ℃; for 18h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/ja412578t

Reference yield: 93.0%

4-fluorobenzeneacetic acid methyl ester (34837-84-8) → 2-(4-Fluorophenyl)ethanol (7589-27-7)

Guidance literature:

With C₁₅H₂₉MnNO₃P₂⁽¹⁺⁾*Br^(1-); potassium tert-butylate; hydrogen; In 1,4-dioxane; at 110 ℃; for 24h; under 22502.3 Torr; Inert atmosphere; Autoclave;

DOI:10.1002/anie.201607233

Reference yield: 93.0%

1-ethynyl-4-fluorobenzene (766-98-3) → 2-(4-Fluorophenyl)ethanol (7589-27-7)

Guidance literature:

With [2,2]bipyridinyl; formic acid; (η⁵-cyclopentadienyl) (η⁶-naphthalene)ruthenium hexafluorophosphate; water; In tetrahydrofuran; at 55 ℃; for 48h;

DOI:10.1038/nchem.1799

upstream raw materials:

oxirane

4-flourophenylmagnesium bromide

diethyl ether

benzene

Downstream raw materials:

1-(2-methanesulfonyloxyethyl)-4-fluorobenzene

3-bromo-2-[[2-(4-fluorophenyl)ethoxy]methyl]-1,4-dimethoxynaphthalene

2-fluoro-5-(2-hydroxyethyl)benzoic acid

2-[2-(4-fluorophenyl)ethoxy]adenosine

Refernces

• 1、 Magre, Marc,Paffenholz, Eva,Maity, Bholanath,Cavallo, Luigi,Rueping, Magnus. "Regiodivergent Hydroborative Ring Opening of Epoxides via Selective C-O Bond Activation". supporting information. p. 14286 - 14294. Retrieved 2020/09/15.
• 2、 Xie, Jin,Yang, Fengzhi,Zhang, Man,Lam, Celine,Qiao, Yixue,Xiao, Jia,Zhang, Dongdong,Ge, Yuxuan,Fu, Lei,Xie, Dongsheng. "Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety". . p. 131 - 134. Retrieved 2016/12/27.