Cyclohexyl(2,4-dimethylphenyl)methanone

Base Information

• Chemical Name: Cyclohexyl(2,4-dimethylphenyl)methanone
• CAS No.: 2760-64-7
• Molecular Formula: C15H20O
• Molecular Weight: 216.32
• Hs Code.: 2914399090
• DSSTox Substance ID: DTXSID70342681
• Nikkaji Number: J711.051K
• Wikidata: Q82113599
• Mol file: 2760-64-7.mol

Synonyms:Cyclohexyl(2,4-dimethylphenyl)methanone;2760-64-7;CYCLOHEXYL 2,4-DIMETHYLPHENYL KETONE;cyclohexyl-(2,4-dimethylphenyl)methanone;MFCD03841356;DTXSID70342681;CAA76064;AKOS009340070;Cyclohexyl(2,4-dimethylphenyl) ketone;4-Cyclohexylcarbonyl-1,3-dimethylbenzene;CYCLOHEXYL2,4-DIMETHYLPHENYLKETONE;Cyclohexyl(2,4-dimethylphenyl)methanone #

Chemical Property of Cyclohexyl(2,4-dimethylphenyl)methanone

Chemical Property:

• Vapor Pressure: 0.000142mmHg at 25°C
• Boiling Point: 332.8°C at 760 mmHg
• Flash Point: 141°C
• PSA: 17.07000
• Density: 1.001g/cm³
• LogP: 4.06640
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.151415257
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Cyclohexyl2,4-dimethylphenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C(=O)C2CCCCC2)C

Technology Process of Cyclohexyl(2,4-dimethylphenyl)methanone

There total 4 articles about Cyclohexyl(2,4-dimethylphenyl)methanone 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: 79.0%

Se-phenyl cyclohexanecarboselenoate (60718-41-4) + m-xylene (108-38-3,104809-90-7) → cyclohexyl(2,4-dimethylphenyl)methanone (2760-64-7)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

Reference yield:

m-xylene (108-38-3,104809-90-7) + cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexyl(2,4-dimethylphenyl)methanone (2760-64-7) + cyclohexyl(2,6-dimethylphenyl)methanone (898769-15-8) + Cyclohexyl-(3,5-dimethyl-phenyl)-methanone (898769-18-1)

Guidance literature:

With rhenium(I) pentacarbonyl bromide; at 120 ℃; for 2h;

DOI:10.1246/bcsj.68.2379

Reference yield:

cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexyl(2,4-dimethylphenyl)methanone (2760-64-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium / tetrahydrofuran / 4 h / Inert atmosphere; Reflux

1.2: 1 h / 0 °C / Inert atmosphere; Reflux

2.1: 9,10-dimethoxyanthracene / acetonitrile / 20 °C / Inert atmosphere; Irradiation

With 9,10-dimethoxyanthracene; sodium; In tetrahydrofuran; acetonitrile;

DOI:10.1039/c7cc07529d

upstream raw materials:

m-xylene

cyclohexanylcarbonyl chloride

Se-phenyl cyclohexanecarboselenoate

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