Cyclohexyl phenyl ketone

Base Information

• Chemical Name: Cyclohexyl phenyl ketone
• CAS No.: 712-50-5
• Molecular Formula: C13H16O
• Molecular Weight: 188.269
• Hs Code.: 29143900
• European Community (EC) Number: 211-923-5
• NSC Number: 818
• UNII: 0NU53987V8
• DSSTox Substance ID: DTXSID5048182
• Nikkaji Number: J1.727B
• Wikidata: Q27237012
• ChEMBL ID: CHEMBL3188506
• Mol file: 712-50-5.mol

Synonyms:cyclohexylphenylketone

Chemical Property of Cyclohexyl phenyl ketone

Chemical Property:

• Appearance/Colour: white to yellowish crystalline solid
• Vapor Pressure: 0.0018mmHg at 25°C
• Melting Point: 54-58 °C
• Refractive Index: 1.537
• Boiling Point: 292.8 °C at 760 mmHg
• Flash Point: 121.6 °C
• PSA: 17.07000
• Density: 1.026 g/cm³
• LogP: 3.44960
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: 18.2mg/L at 20℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexyl Phenyl Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)C2=CC=CC=C2
• Uses: Cyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.

Technology Process of Cyclohexyl phenyl ketone

There total 192 articles about Cyclohexyl phenyl 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%

cyclohexylphenylmethanol (945-49-3) → Cyclohexyl phenyl ketone (712-50-5)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; In toluene; at 50 ℃; for 4h;

DOI:10.1039/c6ra15483b

Reference yield: 98.0%

bromobenzene (108-86-1,52753-63-6) + cyclohexane carbonitrile (766-05-2) → Cyclohexyl phenyl ketone (712-50-5)

Guidance literature:

bromobenzene; cyclohexane carbonitrile; With iodine; magnesium; In tetrahydrofuran; at 80 - 85 ℃;

With sulfuric acid; In water; at 20 - 25 ℃; for 2h;

Reference yield: 92.0%

1-phenyl-1-cyclohexylethylene (5700-44-7) → Cyclohexyl phenyl ketone (712-50-5)

Guidance literature:

With trimethylsilylazide; tetrabutylammonium tetrafluoroborate; oxygen; In methanol; at 10 ℃; for 2h; Electrochemical reaction;

DOI:10.1021/acs.orglett.1c02991

upstream raw materials:

cyclohexylphenylmethanol

cyclohexyl-phenyl ketone-imine

(1-chlorocyclohexyl)(phenyl)methanone

cyclohexyl-(cyclohexyl-phenyl-methyl)-amine

Downstream raw materials:

α-cyclohexyl-α-phenyl-2-pyridinemethanol

1-cyclohexyl-1-phenyl-2-[2]pyridyl-ethanol

1-cyclohexyl-1-phenylethanol

phenyl cyclohexanecarboxylate

Refernces

• 1、 Wang, Chang-An,Rahman, Md. Mahbubur,Bisz, Elwira,Dziuk, B?az?ej,Szostak, Roman,Szostak, Michal. "Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki-Miyaura Cross-Coupling of Alkyl Amides". . p. 2426 - 2433. Retrieved 2022/02/17.
• 2、 Kakavand, Meysam,Mastrorilli, Piero,Mesto, Ernesto,Neshat, Abdollah,Osanlou, Farzane,Schingaro, Emanuela,Todisco, Stefano. "Catalytic alcohol oxidation using cationic Schiff base manganeseIII complexes with flexible diamino bridge". . . Retrieved 2020/11/04.