Cyclopropyl 4-ethylphenyl ketone

Base Information

• Chemical Name: Cyclopropyl 4-ethylphenyl ketone
• CAS No.: 50664-71-6
• Molecular Formula: C12H14 O
• Molecular Weight: 174.243
• Hs Code.: 2914399090
• European Community (EC) Number: 256-696-3
• NSC Number: 71984
• DSSTox Substance ID: DTXSID30198702
• Nikkaji Number: J261.585A
• Mol file: 50664-71-6.mol

Synonyms:Cyclopropyl 4-ethylphenyl ketone;50664-71-6;cyclopropyl(4-ethylphenyl)methanone;cyclopropyl-(4-ethylphenyl)methanone;EINECS 256-696-3;NSC71984;SCHEMBL3678830;DTXSID30198702;NSC 71984;NSC-71984;AKOS000346276;FT-0639924;N13983;A828230

Chemical Property of Cyclopropyl 4-ethylphenyl ketone

Chemical Property:

• Vapor Pressure: 0.00257mmHg at 25°C
• Boiling Point: 286.8°C at 760 mmHg
• Flash Point: 119.6°C
• PSA: 17.07000
• Density: 1.068g/cm³
• LogP: 2.84170
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

98%min ^*data from raw suppliers

cyclopropyl4-ethylphenylketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C2CC2

Technology Process of Cyclopropyl 4-ethylphenyl ketone

There total 3 articles about Cyclopropyl 4-ethylphenyl 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: 82.5%

4-Chloro-1-(4-ethyl-phenyl)-butan-1-one (71526-83-5) → cyclopropyl 4-ethylphenyl ketone (50664-71-6)

Guidance literature:

With potassium hydroxide; In methanol; cooling to 20 deg C;

Reference yield:

ethylbenzene (100-41-4,27536-89-6) + cyclopropanecarboxylic acid chloride (4023-34-1) → cyclopropyl 4-ethylphenyl ketone (50664-71-6)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/jm00263a015

Reference yield:

→ cyclopropyl 4-ethylphenyl ketone (50664-71-6)

Guidance literature:

upstream raw materials:

4-Chloro-1-(4-ethyl-phenyl)-butan-1-one

ethylbenzene

cyclopropanecarboxylic acid chloride

Downstream raw materials:

(4-{1-[1-(4-Cyclopropanecarbonyl-phenyl)-ethylamino]-ethyl}-phenyl)-cyclopropyl-methanone

2,3-Bis-(4-cyclopropanecarbonyl-phenyl)-2-methyl-butyronitrile

2-(4-cyclopropanecarbonyl-phenyl)-propionic acid

p-(Cyclopropylmethyl)-hydratropinsaeure

Refernces

• 1、 -. "Intermediates useful for the preparation of antihistaminic piperidine derivatives". . . Retrieved 2008/06/13.