2-(4-Fluorophenyl)cyclohexanone

Base Information

• Chemical Name: 2-(4-Fluorophenyl)cyclohexanone
• CAS No.: 59227-02-0
• Molecular Formula: C12H13FO
• Molecular Weight: 192.233
• DSSTox Substance ID: DTXSID70517852
• Nikkaji Number: J1.549.546D
• Mol file: 59227-02-0.mol

Synonyms:2-(4-Fluorophenyl)cyclohexanone;59227-02-0;2-(4-Fluorophenyl)cyclohexan-1-one;SCHEMBL513149;2-(p-fluorophenyl)-cyclohexanone;DTXSID70517852;KEQMCCXBUGKEPF-UHFFFAOYSA-N;2-(4-Fluoro-phenyl)-cyclohexanone;CS-B0296;AKOS011895041;rac-2-(4-fluoro-phenyl)-cyclohexanone;CS-14021;EN300-1153075

Chemical Property of 2-(4-Fluorophenyl)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.00185mmHg at 25°C
• Boiling Point: 292.3oC at 760 mmHg
• Flash Point: 127.1oC
• PSA: 17.07000
• Density: 1.121g/cm3
• LogP: 3.05240
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 192.095043196
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

2-(4-fluorophenyl)cyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C2=CC=C(C=C2)F

Technology Process of 2-(4-Fluorophenyl)cyclohexanone

There total 26 articles about 2-(4-Fluorophenyl)cyclohexanone 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%

rac-2-(4-fluoro-phenyl)-cyclohexanol (851337-37-6) → rac-2-(4-fluorophenyl)cyclohexan-1-one (59227-02-0)

Guidance literature:

With sulfur trioxide pyridine complex; triethylamine; In dimethyl sulfoxide; at 0 ℃; for 1.25h; Product distribution / selectivity;

Reference yield: 86.0%

1-(4-fluorophenyl)cyclohexane-1,2-diol → rac-2-(4-fluorophenyl)cyclohexan-1-one (59227-02-0)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.7b01679

Reference yield: 81.0%

1-(4-fluorophenyl)-5-hexen-2-one (162011-79-2) → rac-2-(4-fluorophenyl)cyclohexan-1-one (59227-02-0)

Guidance literature:

With chloro-trimethyl-silane; copper dichloride; dichloro bis(acetonitrile) palladium(II); In 1,4-dioxane; at 70 ℃; for 10h;

DOI:10.1002/chem.200400459

upstream raw materials:

rac-2-(4-fluoro-phenyl)-cyclohexanol

1-(4-fluorophenyl)-5-hexen-2-one

cyclohexanone

1-Bromo-4-fluorobenzene

Downstream raw materials:

2-(4-fluorophenyl)-1-(trimethylsiloxy)cyclohex-1-ene

trifluoro-methanesulfonic acid 2-(4-fluoro-phenyl)-cyclohex-1-enyl ester

2-chloro-4-[2-(4-fluoro-phenyl)-cyclohex-1-enyl]-pyridine

4-[2-(4-fluoro-phenyl)-cyclohex-1-enyl]-pyridin-2-ylamine