1-Cyclohexyl-3-fluorobenzene

Base Information

• Chemical Name: 1-Cyclohexyl-3-fluorobenzene
• CAS No.: 1717-83-5
• Molecular Formula: C12H15F
• Molecular Weight: 178.25
• DSSTox Substance ID: DTXSID20596672
• Wikidata: Q82491982
• Mol file: 1717-83-5.mol

Synonyms:1-CYCLOHEXYL-3-FLUOROBENZENE;1717-83-5;Benzene, 1-cyclohexyl-3-fluoro-;SCHEMBL130265;DTXSID20596672;AKOS023094739

Chemical Property of 1-Cyclohexyl-3-fluorobenzene

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.115778641
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Cyclohexyl-3-fluorobenzene

There total 9 articles about 1-Cyclohexyl-3-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: 95.0%

3-fluorobromobenzene (1073-06-9) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-3-fluorobenzene (1717-83-5)

Guidance literature:

3-fluorobromobenzene; 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: 88.0%

3-chlorofluorobenzene (625-98-9) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-3-fluorobenzene (1717-83-5)

Guidance literature:

cyclohexylmagnesium bromide; With 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride; In tetrahydrofuran; at 20 ℃; for 0.166667h; Flow reactor; Inert atmosphere;

3-chlorofluorobenzene; With iron(III)-acetylacetonate; In tetrahydrofuran; at 25 ℃; Inert atmosphere; Flow reactor; Irradiation;

DOI:10.1002/anie.201906462

Reference yield:

1-bromo-2,3-difluorobenzene (38573-88-5) + cyclohexylmagnesium bromide (931-50-0) → 1-cyclohexyl-2,3-difluorobenzene + 1-cyclohexyl-3-fluorobenzene (1717-83-5) + 1-cyclohexyl-2-fluorobenzene (1717-82-4)

Guidance literature:

1-bromo-2,3-difluorobenzene; With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II); In tetrahydrofuran; for 0.0833333h; Inert atmosphere; Schlenk technique;

cyclohexylmagnesium bromide; In tetrahydrofuran; at 20 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.3998/ark.5550190.p008.044

upstream raw materials:

1-cyclohex-1-en-1-yl-3-fluorobenzene

1-(3-fluorophenyl)cyclohexanol

bromo(3-fluorophenyl)magnesium

cyclohexanone