Cyclohexyl 4-fluorophenyl ketone

Base Information

• Chemical Name: Cyclohexyl 4-fluorophenyl ketone
• CAS No.: 85014-02-4
• Molecular Formula: C13H15FO
• Molecular Weight: 206.26
• Hs Code.: 2914700090
• European Community (EC) Number: 874-757-8
• DSSTox Substance ID: DTXSID20565207
• Nikkaji Number: J3.197.962E
• Wikidata: Q82450176
• Mol file: 85014-02-4.mol

Synonyms:CYCLOHEXYL 4-FLUOROPHENYL KETONE;85014-02-4;Cyclohexyl(4-fluorophenyl)methanone;cyclohexyl-(4-fluorophenyl)methanone;MFCD03841354;CYCLOHEXYL4-FLUOROPHENYLKETONE;SCHEMBL6468965;DTXSID20565207;QDAMRMWTBRLMEG-UHFFFAOYSA-N;cyclohexyl-(4-fluorophenyl)-methanone;AKOS000346344;cyclohexyl-(4-fluoro-phenyl)-methanone;NS-02236;CS-0246485;EN300-331570;G48508;Z385412902

Chemical Property of Cyclohexyl 4-fluorophenyl ketone

Chemical Property:

• Vapor Pressure: 0.000859mmHg at 25°C
• Boiling Point: 304.7°C at 760 mmHg
• Flash Point: 124.6°C
• PSA: 17.07000
• Density: 1.099g/cm³
• LogP: 3.58870
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.110693260
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

95% ^*data from raw suppliers

cyclohexyl(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Cyclohexyl 4-fluorophenyl ketone

There total 16 articles about Cyclohexyl 4-fluorophenyl ketone 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: 99.0%

1-(4-fluorophenyl)cyclohexane-1-carbaldehyde (351343-80-1) → cyclohexyl-(4-fluoromethyl)methanone (85014-02-4)

Guidance literature:

With ferric(III) bromide; In toluene; at 130 ℃; for 14h; chemoselective reaction; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja4068707

Reference yield: 82.0%

1-Iodooctane (629-27-6) + carbon monoxide (201230-82-2) + 4-fluoroboronic acid (1765-93-1) → cyclohexyl-(4-fluoromethyl)methanone (85014-02-4)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In water; benzene; at 20 ℃; for 16h; under 34202.3 Torr; Autoclave; Irradiation;

DOI:10.1021/ol401363t

Reference yield: 74.0%

cyclohexane (110-82-7,25012-93-5) + 1-(4-fluorobenzoyl)pyrrolidine-2,5-dione (331987-63-4) → cyclohexyl-(4-fluoromethyl)methanone (85014-02-4)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; potassium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In benzene; at 20 ℃; for 16h; Irradiation; Inert atmosphere;

DOI:10.1002/anie.202004441

upstream raw materials:

N-((3-methylpyridin-2-ylamino)(cyclohexyl)methyl)-3-methylpyridin-2-amine

cyclohexanecarbaldehyde

fluorobenzene

cyclohexanylcarbonyl chloride

Downstream raw materials:

rac-1-Cyclohexyl-1-(4-fluorophenyl)-4-piperidino-2-butyn-1-ol

p-Fluorohexahydrodifenidol

1-Cyclohexyl-1-hydroxy-1-(4-fluorophenyl)-7-dimethylaminohept-5-yn-2-one

1-Cyclohexyl-1-hydroxy-1-(4-fluorophenyl)-7-ethylaminohept-5-yn-2-one