1-(2-Fluorophenyl)cyclohexanecarboxylic acid

Base Information

• Chemical Name: 1-(2-Fluorophenyl)cyclohexanecarboxylic acid
• CAS No.: 106795-66-8
• Molecular Formula: C13H15 F O2
• Molecular Weight: 221.248
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80369804
• Wikidata: Q82157112
• Mol file: 106795-66-8.mol

Synonyms:1-(2-fluorophenyl)cyclohexanecarboxylic acid;106795-66-8;1-(2-fluorophenyl)cyclohexane-1-carboxylic Acid;Cyclohexanecarboxylic acid, 1-(2-fluorophenyl)-;1-(2-FLUOROPHENYL)CYCLOHEXANECARBOXYLIC ACID, 98;CYCLOHEXANECARBOXYLIC ACID,1-(2-FLUOROPHENYL)-;1-(2-Fluorophenyl)cyclohexanecarboxylicacid;SCHEMBL2867660;DTXSID80369804;MFCD00800623;AKOS000345196;AB90341;DS-18655;CS-0155345;C71264;EN300-1846548;A856040;1-(2-fluorophenyl)cyclohexanecarboxylic acid, AldrichCPR

Chemical Property of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 1.1E-05mmHg at 25°C
• Melting Point: 126-130oC
• Boiling Point: 356°Cat760mmHg
• PKA: 4.18±0.20(Predicted)
• Flash Point: 169.1°C
• PSA: 37.30000
• Density: g/cm³
• LogP: 3.11220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.10560788
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Fluorophenyl)cyclohexanecarboxylicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C2=CC=CC=C2F)C(=O)O

Technology Process of 1-(2-Fluorophenyl)cyclohexanecarboxylic acid

There total 10 articles about 1-(2-Fluorophenyl)cyclohexanecarboxylic acid 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:

2-(o-fluorophenyl)-1-oxaspiro<2,5>octane (106795-61-3) → 1-(o-fluorophenyl)cyclohexane-1-carboxylic acid (106795-66-8)

Guidance literature:

With chromium(VI) oxide; aluminium trichloride; sulfuric acid; Yield given. Multistep reaction; 1.) methylene dichloride, 5 deg C, 3 min; 2.) acetone, 20 deg C, 4 h;

Reference yield:

o-fluorophenyl(cyclohexylidene)methane (106795-59-9) → 1-(o-fluorophenyl)cyclohexane-1-carboxylic acid (106795-66-8)

Guidance literature:

Multi-step reaction with 3 steps

1: MCPBA

2: AlCl₃ / CH₂Cl₂

3: CrO₃

With chromium(VI) oxide; aluminium trichloride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1016/S0040-4039(00)87259-7

Reference yield:

[(2-fluorophenyl)methylene]triphenylphosphorane (82757-27-5) → 1-(o-fluorophenyl)cyclohexane-1-carboxylic acid (106795-66-8)

Guidance literature:

Multi-step reaction with 4 steps

2: MCPBA

3: TFA / CH₂Cl₂ / 15 h / 20 °C

4: CrO₃

With chromium(VI) oxide; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In dichloromethane;

DOI:10.1016/S0040-4039(00)87259-7

upstream raw materials:

1-fluoro-2-(1-vinylcyclohexyl)benzene

2-(o-fluorophenyl)-1-oxaspiro<2,5>octane

1-(2-Fluoro-phenyl)-cyclohexanecarbaldehyde

cyclohexanone

Downstream raw materials:

spiro[cyclohexane-1,3'-[3H]indol]-2'(1'H)-one

1-(o-fluorophenyl)cyclohexane-1-carboxamide

1-(2-fluorophenyl)cyclohexanecarbonyl chloride