1-Ethyl-4-fluorobenzene

Base Information

• Chemical Name: 1-Ethyl-4-fluorobenzene
• CAS No.: 459-47-2
• Molecular Formula: C8H9F
• Molecular Weight: 124.158
• Hs Code.: 2903999090
• European Community (EC) Number: 680-688-2
• DSSTox Substance ID: DTXSID10196645
• Nikkaji Number: J265.914J
• Wikidata: Q83069671
• Mol file: 459-47-2.mol

Synonyms:1-Ethyl-4-fluorobenzene;459-47-2;Ethyl-4-fluorobenzene;p-Ethylfluorobenzene;4-Ethylfluorobenzene;4-Fluoroethylbenzene;Benzene, 1-ethyl-4-fluoro-;p-Fluoroethylbenzene;p-Ethyl fluorobenzene;MFCD00039218;4-fluoro-ethylbenzene;4-Ethyl(fluorobenzene);SCHEMBL131869;1-Ethyl-4-fluorobenzene, 97%;DTXSID10196645;AKOS006227767;CL-0737;CS-0207142;FT-0607758;EN300-108636;A826938;W-202813

Chemical Property of 1-Ethyl-4-fluorobenzene

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 7.26mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 141.6 °C at 760 mmHg
• Flash Point: 28.9 °C
• PSA: 0.00000
• Density: 0.981 g/cm³
• LogP: 2.38810
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.068828449
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

99%, ^*data from raw suppliers

1-Ethyl-4-fluorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F； Xi
• Hazard Codes: Xi,F
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)F
• Uses: 1-Ethyl-4-fluorobenzene is used as pharmaceutical Intermediates.

Technology Process of 1-Ethyl-4-fluorobenzene

There total 47 articles about 1-Ethyl-4-fluorobenzene 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%

para-fluorostyrene (405-99-2) → 1-ethyl-4-fluorobenzene (459-47-2)

Guidance literature:

With C₂₈H₁₈Co^(1-)*K⁽¹⁺⁾*2C₄H₁₀O₂; hydrogen; In toluene; at 20 ℃; for 3h; under 750.075 Torr; Reagent/catalyst; chemoselective reaction;

DOI:10.1002/anie.201308967

Reference yield: 96.0%

1-ethynyl-4-fluorobenzene (766-98-3) → 1-ethyl-4-fluorobenzene (459-47-2)

Guidance literature:

With hydrogen; In methanol; at 20 ℃; for 18h;

DOI:10.1016/j.tetlet.2009.01.014

Reference yield: 95.0%

1-(4-fluorophenyl)ethanone (403-42-9) → 1-ethyl-4-fluorobenzene (459-47-2)

Guidance literature:

1-(4-fluorophenyl)ethanone; With iron(III) chloride; In methanol; at 20 ℃; for 0.05h;

In methanol; at 20 ℃; for 0.166667h; chemoselective reaction;

DOI:10.1021/acs.joc.8b01667

upstream raw materials:

1-(4-fluorophenyl)ethanone

fluorobenzene

1-fluoroethane

2-(4-Fluorophenyl)ethanol

Downstream raw materials:

1-(4-Fluorophenyl)ethanol

2-(4-Fluorophenyl)ethanol

cis-(1R,2R)-1,2-dihydroxy-3-ethyl-6-fluorocyclohexa-3,5-diene

(1R)-[N-(p-toluenesulfonyl)-p-toluenesulfonimidoyl]-1-aminoethylbenzene

Refernces

• 1、 Ravn, Anne K.,Johansen, Martin B.,Skrydstrup, Troels. "Regioselective Hydroalkylation of Vinylarenes by Cooperative Cu and Ni Catalysis". supporting information. . Retrieved 2021/12/14.
• 2、 Coles, Nathan T.,Linford-Wood, Thomas G.,Webster, Ruth L.. "Room temperature iron catalyzed transfer hydrogenation usingn-butanol and poly(methylhydrosiloxane)". supporting information. p. 2703 - 2709. Retrieved 2021/04/21.