Cyclohexyl o-tolyl ketone

Base Information

• Chemical Name: Cyclohexyl o-tolyl ketone
• CAS No.: 2936-55-2
• Molecular Formula: C14H18 O
• Molecular Weight: 202.296
• Hs Code.: 2914399090
• European Community (EC) Number: 220-915-0
• DSSTox Substance ID: DTXSID80183587
• Nikkaji Number: J283.909A
• Wikidata: Q83054405
• Mol file: 2936-55-2.mol

Synonyms:2936-55-2;Cyclohexyl o-tolyl ketone;CYCLOHEXYL 2-METHYLPHENYL KETONE;cyclohexyl-(2-methylphenyl)methanone;EINECS 220-915-0;MFCD03841337;2-Methylphenylcyclohexyl ketone;SCHEMBL5729067;DTXSID80183587;CAA93655;CYCLOHEXYL2-METHYLPHENYLKETONE;AKOS010014650

Chemical Property of Cyclohexyl o-tolyl ketone

Chemical Property:

• Vapor Pressure: 0.000577mmHg at 25°C
• Boiling Point: 311.1°C at 760 mmHg
• Flash Point: 130.5°C
• PSA: 17.07000
• Density: 1.012g/cm³
• LogP: 3.75800
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexyl2-methylphenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C2CCCCC2

Technology Process of Cyclohexyl o-tolyl ketone

There total 15 articles about Cyclohexyl o-tolyl 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: 94.0%

1-(o-tolyl)cyclohexanecarbaldehyde (1267024-37-2) → cyclohexyl(o-tolyl)methanone (2936-55-2)

Guidance literature:

With ferric(III) bromide; In toluene; at 110 ℃; for 14h; chemoselective reaction; Sealed tube; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja4068707

Reference yield: 88.0%

N-(3,5-bis(trifluoromethyl)phenyl)-N-tosylcyclohexanecarboxamide + bis(2-methylphenyl)borinic acid (73774-44-4) → cyclohexyl(o-tolyl)methanone (2936-55-2)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; potassium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 110 ℃; for 6h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2015.07.009

Reference yield: 81.0%

C14H18O (854447-93-1) + 1-(o-tolyl)cyclohexanecarbaldehyde (1267024-37-2) → <4-Methyl-cyclohexyl>-phenyl-keton (833-37-4) + cyclohexyl(o-tolyl)methanone (2936-55-2)

Guidance literature:

With ferric(III) bromide; In toluene; at 110 ℃; for 14h; chemoselective reaction; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1021/ja4068707

upstream raw materials:

2-methylphenyl aldehyde

cyclohexene

2-Methylbenzonitrile

cyclohexyl chloride

Downstream raw materials:

N-(Cyclohexyl-o-tolyl-methyl)-formamide

(Cyclohexyl-o-tolyl-methyl)-methyl-amine

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