1-Cyclohexyl-4-fluorobenzene

Base Information

• Chemical Name: 1-Cyclohexyl-4-fluorobenzene
• CAS No.: 1717-84-6
• Molecular Formula: C12H15F
• Molecular Weight: 178.25
• DSSTox Substance ID: DTXSID30570468
• Nikkaji Number: J2.551.181F
• Wikidata: Q82457928
• Mol file: 1717-84-6.mol

Synonyms:1-CYCLOHEXYL-4-FLUOROBENZENE;1717-84-6;Benzene, 1-cyclohexyl-4-fluoro-;SCHEMBL126027;C12H15F;DTXSID30570468;MFCD15527405;AKOS023094738

Chemical Property of 1-Cyclohexyl-4-fluorobenzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.115778641
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC=C(C=C2)F

Technology Process of 1-Cyclohexyl-4-fluorobenzene

There total 15 articles about 1-Cyclohexyl-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%

1-Bromo-4-fluorobenzene (460-00-4) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-4-fluorobenzene (1717-84-6)

Guidance literature:

1-Bromo-4-fluorobenzene; With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II); In tetrahydrofuran; for 0.0833333h; Inert atmosphere; Schlenk technique;

cyclohexylmagnesium bromide; With lithium bromide; In tetrahydrofuran; at 20 ℃; for 24h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.3998/ark.5550190.p008.044

Reference yield: 95.0%

cyclohexyl chloride (542-18-7) + 4-flourophenylmagnesium bromide (352-13-6) → 1-cyclohexyl-4-fluorobenzene (1717-84-6)

Guidance literature:

With iron(III) chloride; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; In tetrahydrofuran; at 0 - 40 ℃; for 1.66667h;

DOI:10.1021/ol2031729

Reference yield: 93.0%

4-fluoroboronic acid (1765-93-1) + ((1-cyclohexyl-1-phenylethyl)peroxy)trimethylsilane → 1-cyclohexyl-4-fluorobenzene (1717-84-6)

Guidance literature:

With [2,2]bipyridinyl; copper(l) iodide; potassium carbonate; In tetrahydrofuran; at 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acs.joc.9b03294

upstream raw materials:

4'-fluoro-2,3,4,5-tetrahydro-1,1'-biphenyl

fluorobenzene

cyclohexene

1-(4-fluorophenyl)cyclohexan-1-ol