Cyclohexyl 3,4-dichlorophenyl ketone

Base Information

• Chemical Name: Cyclohexyl 3,4-dichlorophenyl ketone
• CAS No.: 854892-34-5
• Molecular Formula: C13H14Cl2O
• Molecular Weight: 257.15600
• DSSTox Substance ID: DTXSID00469279
• Wikidata: Q82296934
• Mol file: 854892-34-5.mol

Synonyms:CYCLOHEXYL 3,4-DICHLOROPHENYL KETONE;854892-34-5;Cyclohexyl-(3,4-dichlorophenyl)methanone;MFCD03841375;Cyclohexyl(3,4-dichlorophenyl)methanone;CYCLOHEXYL3,4-DICHLOROPHENYLKETONE;DTXSID00469279;AKOS009377326

Chemical Property of Cyclohexyl 3,4-dichlorophenyl ketone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 378.296oC at 760 mmHg
• Flash Point: 159.942oC
• PSA: 17.07000
• Density: 1.24g/cm3
• LogP: 4.75640
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 256.0421705
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexyl3,4-dichlorophenylketone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Cyclohexyl 3,4-dichlorophenyl ketone

There total 4 articles about Cyclohexyl 3,4-dichlorophenyl 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: 42.0%

3,4-dichlophenylboronic acid (151169-75-4) + cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexyl-(3,4-dichloro-phenyl)-methanone (854892-34-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In toluene; at 80 ℃;

DOI:10.1016/j.bmcl.2004.10.023

Reference yield:

cyclohexylmagnesiumchloride (931-51-1) → cyclohexyl-(3,4-dichloro-phenyl)-methanone (854892-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / -78 - 25 °C

2: pyridinium dichromate

With dipyridinium dichromate; In diethyl ether;

DOI:10.1016/j.ejmech.2005.04.016

Reference yield:

3,4-dichlorobenzaldehyde (6287-38-3) → cyclohexyl-(3,4-dichloro-phenyl)-methanone (854892-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / -78 - 25 °C

2: pyridinium dichromate

With dipyridinium dichromate; In diethyl ether;

DOI:10.1016/j.ejmech.2005.04.016

upstream raw materials:

3,4-dichlophenylboronic acid

cyclohexanylcarbonyl chloride

Cyclohexyl-(3,4-dichloro-phenyl)-methanol

cyclohexylmagnesiumchloride

Downstream raw materials:

3-cyclohexyl-3-(3,4-dichloro-phenyl)-3-hydroxy-1-piperidin-1-yl-propan-1-one

{[cyclohexyl-(3,4-dichloro-phenyl)-methyl]-formyl-amino}-acetic acid methyl ester

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