52059-53-7

Basic information

• Product Name: 3-Fluorophenethyl alcohol
• Synonyms: 2-(3-FLUOROPHENYL)ETHANOL;2-(M-FLUOROPHENYL)ETHANOL;3-FLUOROPHENETHYL ALCOHOL;2-(3-Fluorophenyl)ethylalcohol;3-FLUOROPHENETHYL ALCOHOL 99%;3-Fluorophenylethanol ;3-Fluorophenethyl alcohol ,98%;3-Fluorobenzeneethanol
• CAS NO: 52059-53-7
• Molecular Formula: C₈H₉FO
• Molecular Weight: 140.15
• Product Categories: Phenyls & Phenyl-Het;Phenyls & Phenyl-Het;Alcohols;C7 to C8;Oxygen Compounds;Fluorine series
• Mol File: 52059-53-7.mol
• Article Data: 20

Chemical Properties

• Boiling Point: 90 °C3 mm Hg(lit.)
• Flash Point: 225 °F
• Appearance: Clear colorless/Liquid
• Density: 1.125 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.157mmHg at 25°C
• Refractive Index: n20/D 1.509(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.76±0.10(Predicted)
• CAS DataBase Reference: 3-Fluorophenethyl alcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Fluorophenethyl alcohol(52059-53-7)
• EPA Substance Registry System: 3-Fluorophenethyl alcohol(52059-53-7)

Safety Data

• Hazard Codes: C,Xn
• Statements: 36/37/38-21/22-34
• Safety Statements: 26-36/37/39-45-27
• RIDADR: 2810
• WGK Germany: 3
• Hazardous Substances Data: 52059-53-7(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

General Description

3-Fluorophenethyl alcohol is a fluorinated β-phenethyl alcohol. Regioselective synthesis of 3-fluorophenethyl alcohol via regioselective hydroboration has been reported.

InChI:InChI=1/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Upstream product

• 331-25-9 (3-fluorophenyl)acetic acid 
• 350-51-6 3-fluorostyrene 
• 75-21-8 oxirane 
• 1073-06-9 3-fluorobromobenzene 
• 64123-77-9 methyl (3-fluorophenyl)acetate 
• 2561-17-3 1-ethynyl-3-fluoro-benzene 

Downstream Products

• 26416-23-9 2-(3-fluorophenyl)ethyl 4-methylbenzenesulfonate 
• 481075-35-8 [2-(3-fluorophenyl)ethoxy]triisopropylsilane 
• 481075-50-7 2-fluoro-4-(2-hydroxyethyl)benzoic acid 
• 862158-61-0 4-[2-(3-fluoro-phenyl)-ethyl]piperazine-1-carboxylic acid ethyl ester 
• 862158-39-2 1-but-3-enyl-4-[2-(3-fluoro-phenyl)-ethyl]piperazine 
• 188400-51-3 L-775606 
• 188400-93-3 1-[2-(3-fluorophenyl)ethyl]piperazine 
• 50396-63-9 3,4-dihydro-6-fluoro-1H-isochromene 
• 25017-13-4 1-(2-bromoethyl)-3-fluorobenzene 
• 174257-30-8 2-(3-fluorophenyl)ethanol methanesulfonate (ester) 
• 953786-95-3 [2-(3-fluoro-phenyl)-ethoxy]-acetic acid 
• 1562370-43-7 C₂₁H₂₂FN₃O 
• 1562370-49-3 C₂₁H₂₂FN₃O 
• 1609201-64-0 2-{2-[N-((R)-1-ethylpyrrolidin-3-yl)-N-trifluoroacetylamino]ethyl}-4-fluorobenzenesulfonyl chloride 

Relevant articles and documents

Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel

A pyrrolidine or piperidine compound having activity for T - type calcium channel, wherein the pyrrolidine or piperidine compound of Formula 1 according to the present invention has an excellent antagonistic activity to, T-type calcium channel, and can be used as a preventive or therapeutic agent, for pain diseases, or cancer related to cancer, or cancer such as, epilepsy and,hepatic pain, angina. (by machine translation)

Biocatalytic Formal Anti-Markovnikov Hydroamination and Hydration of Aryl Alkenes

Biocatalytic anti-Markovnikov alkene hydroamination and hydration were achieved based on two concepts involving enzyme cascades: epoxidation-isomerization-amination for hydroamination and epoxidation-isomerization-reduction for hydration. An Escherichia coli strain coexpressing styrene monooxygenase (SMO), styrene oxide isomerase (SOI), ω-transaminase (CvTA), and alanine dehydrogenase (AlaDH) catalyzed the hydroamination of 12 aryl alkenes to give the corresponding valuable terminal amines in high conversion (many ≥86%) and exclusive anti-Markovnikov selectivity (>99:1). Another E. coli strain coexpressing SMO, SOI, and phenylacetaldehyde reductase (PAR) catalyzed the hydration of 12 aryl alkenes to the corresponding useful terminal alcohols in high conversion (many ≥80%) and very high anti-Markovnikov selectivity (>99:1). Importantly, SOI was discovered for stereoselective isomerization of a chiral epoxide to a chiral aldehyde, providing some insights on enzymatic epoxide rearrangement. Harnessing this stereoselective rearrangement, highly enantioselective anti-Markovnikov hydroamination and hydration were demonstrated to convert α-methylstyrene to the corresponding (S)-amine and (S)-alcohol in 84-81% conversion with 97-92% ee, respectively. The biocatalytic anti-Markovnikov hydroamination and hydration of alkenes, utilizing cheap and nontoxic chemicals (O2, NH3, and glucose) and cells, provide an environmentally friendly, highly selective, and high-yielding synthesis of terminal amines and alcohols.

Antiproliferative activity and SARs of caffeic acid esters with mono-substituted phenylethanols moiety

A series of CAPE derivatives with mono-substituted phenylethanols moiety were synthesized and evaluated by MTT assay on growth of 4 human cancer cell lines (Hela, DU-145, MCF-7 and ECA-109). The substituent effects on the antiproliferative activity were systematically investigated for the first time. It was found that electron-donating and hydrophobic substituents at 2′-position of phenylethanol moiety could significantly enhance CAPE's antiproliferative activity. 2′-Propoxyl derivative, as a novel caffeic acid ester, exhibited exquisite potency (IC50?=?0.4?±?0.02 & 0.6?±?0.03?μM against Hela and DU-145 respectively).