Cyclopropyl 4-trifluoromethylphenyl ketone

Base Information

• Chemical Name: Cyclopropyl 4-trifluoromethylphenyl ketone
• CAS No.: 62587-07-9
• Molecular Formula: C11H9F3O
• Molecular Weight: 214.187
• DSSTox Substance ID: DTXSID10457607
• Nikkaji Number: J2.181.055J
• Wikidata: Q82280511

Synonyms:62587-07-9;CYCLOPROPYL 4-TRIFLUOROMETHYLPHENYL KETONE;Cyclopropyl(4-(trifluoromethyl)phenyl)methanone;Cyclopropyl-[4-(trifluoromethyl)phenyl]methanone;MFCD03841231;cyclopropyl[4-(trifluoromethyl)phenyl]methanone;SCHEMBL4023293;DTXSID10457607;AKOS012086572;cyclopropyl (4-trifluoromethylphenyl) ketone;Cyclopropyl[4-(trifluoromethyl)phenyl] ketone;cyclopropyl [4-(trifluoromethyl)phenyl]methanone

Chemical Property of Cyclopropyl 4-trifluoromethylphenyl ketone

Chemical Property:

• Vapor Pressure: 0.0113mmHg at 25°C
• Boiling Point: 261.8oC at 760 mmHg
• Flash Point: 114.5oC
• PSA: 17.07000
• Density: 1.307g/cm3
• LogP: 3.29810
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.06054939
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

CYCLOPROPYL4-TRIFLUOROMETHYLPHENYLKETONE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)C2=CC=C(C=C2)C(F)(F)F

Technology Process of Cyclopropyl 4-trifluoromethylphenyl ketone

There total 11 articles about Cyclopropyl 4-trifluoromethylphenyl 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: 71.0%

cyclopropyl bromide (4333-56-6,130561-87-4) + carbon dioxide (124-38-9,18923-20-1) + p-trifluoromethylphenyl bromide (402-43-7) → cyclopropyl 4-(trifluoromethyl)-phenyl ketone (62587-07-9)

Guidance literature:

p-trifluoromethylphenyl bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With [2,2]bipyridinyl; (-)-menthol; In tetrahydrofuran; hexane; Inert atmosphere;

cyclopropyl bromide; carbon dioxide; Further stages;

DOI:10.1002/anie.201405014

Reference yield: 48.0%

cyclopropylmagnesium bromide (23719-80-4) + N-methoxy-N-methyl-4-trifluoromethylbenzamide (116332-61-7) → cyclopropyl 4-(trifluoromethyl)-phenyl ketone (62587-07-9)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h;

DOI:10.1016/j.bmcl.2007.04.105

Reference yield:

cyclopropyl(4-trifluoromethylphenyl)phenylmethanol (62587-06-8) → cyclopropyl phenyl ketone (3481-02-5) + cyclopropyl 4-(trifluoromethyl)-phenyl ketone (62587-07-9)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; In dichloromethane; at 20 ℃; for 0.166667h; Irradiation;

DOI:10.1021/jo0502448

upstream raw materials:

4-(trifluoromethyl)phenylmagnesium bromide

cyclopropropanecarbonitrile

cyclopropyl(4-trifluoromethylphenyl)phenylmethanol

cyclopropyl[bis(4-trifluoromethylphenyl)]methanol

Downstream raw materials:

1-cyclopropyl-1-[4-(trifluoromethyl)phenyl]methanamine

Cyclopropyl[4-(trifluoromethyl)phenyl]methanol

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