1-(3-Fluorophenyl)ethanol

Base Information

• Chemical Name: 1-(3-Fluorophenyl)ethanol
• CAS No.: 402-63-1
• Molecular Formula: C8H9FO
• Molecular Weight: 140.157
• Hs Code.: 2906299090
• European Community (EC) Number: 206-950-4
• NSC Number: 2996
• DSSTox Substance ID: DTXSID80942055
• Nikkaji Number: J142.887J
• Mol file: 402-63-1.mol

Synonyms:1-(3-Fluorophenyl)ethanol;402-63-1;1-(3-fluorophenyl)ethan-1-ol;3-Fluoro-alpha-methylbenzyl alcohol;3-FLUOROPHENYL METHYL CARBINOL;3-Fluorophenylmethylcarbinol;Benzenemethanol, 3-fluoro-.alpha.-methyl-;EINECS 206-950-4;MFCD00014402;20044-46-6;NSC2996;m-Fluorophenylmethylcarbinol;SCHEMBL508016;1-(3-fluoro-phenyl)-ethanol;1-(3-Fluorophenyl)ethanol #;SCHEMBL14088061;DTXSID80942055;NSC 2996;NSC-2996;(+/-)-1-(3-fluorophenyl)ethanol;m-Fluoro-.alpha.-methylbenzyl alcohol;AKOS000249220;AKOS016050382;FS-4147;SB44919;SB45968;SY173368;CS-0154113;FT-0605112;FT-0605282;FT-0605628;EN300-53727;A856538;W-106367;Z335245218

Chemical Property of 1-(3-Fluorophenyl)ethanol

Chemical Property:

• Vapor Pressure: 0.251mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 196.17 °C at 760 mmHg
• PKA: 14.16±0.20(Predicted)
• Flash Point: 90.067 °C
• PSA: 20.23000
• Density: 1.124 g/cm³
• LogP: 1.87900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• 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-(3-Fluorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36

MSDS Files:

Useful:

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

Technology Process of 1-(3-Fluorophenyl)ethanol

There total 12 articles about 1-(3-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%

1-(3-fluorophenyl)ethanone (455-36-7) → 1-(3-fluorophenyl)ethanol (402-63-1)

Guidance literature:

1-(3-fluorophenyl)ethanone; 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: 95.0%

3-fluorostyrene (350-51-6) → 1-(3-fluorophenyl)ethanol (402-63-1)

Guidance literature:

With water; sulfuric acid; In acetonitrile; at 10 ℃; for 1.5h; Mechanism; Rate constant; Quantum yield; Irradiation; var. of catalysts;

DOI:10.1021/jo00154a024

Reference yield: 95.0%

→ 1-(3-fluorophenyl)ethanol (402-63-1)

Guidance literature:

With C₃₇H₄₃MoN₃O₂P; sodium triethylborohydride; isopropyl alcohol; sodium hydroxide; In tetrahydrofuran; at 90 ℃; for 2h; Schlenk technique; Inert atmosphere;

upstream raw materials:

methyl magnesium iodide

3-Fluorobenzaldehyde

1-(1-chloroethyl)-3-fluorobenzene

3-fluorobromobenzene

Downstream raw materials:

1-(1-bromoethyl)-3-fluorobenzene

2-Chloro-6-[1-(3-Fluorophenyl)Ethoxy]Pyrazine

1-fluoro-3-(1-(4-nitrophenoxy)-ethyl)-benzene

1-(3-fluorophenyl)ethanone

Refernces

• 1、 Topf, Christoph,Vielhaber, Thomas. "Manganese-catalyzed homogeneous hydrogenation of ketones and conjugate reduction of α,β-unsaturated carboxylic acid derivatives: A chemoselective, robust, and phosphine-free in situ-protocol". . . Retrieved 2021/07/10.
• 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.