p-Cumenyl cyclopropyl ketone

Base Information

• Chemical Name: p-Cumenyl cyclopropyl ketone
• CAS No.: 6952-91-6
• Molecular Formula: C13H16 O
• Molecular Weight: 188.269
• Hs Code.: 2914399090
• European Community (EC) Number: 230-131-0
• NSC Number: 70848
• DSSTox Substance ID: DTXSID40219775
• Nikkaji Number: J265.991C
• Wikidata: Q83096768
• Mol file: 6952-91-6.mol

Synonyms:p-Cumenyl cyclopropyl ketone;6952-91-6;cyclopropyl(4-isopropylphenyl)methanone;cyclopropyl-(4-propan-2-ylphenyl)methanone;EINECS 230-131-0;NSC70848;SCHEMBL2923177;DTXSID40219775;NSC 70848;NSC-70848;AKOS000346294;Cyclopropyl[4-(1-methylethyl)phenyl]methanone;Methanone, cyclopropyl(4-(1-methylethyl)phenyl)-;A1-04976

Chemical Property of p-Cumenyl cyclopropyl ketone

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Boiling Point: 299.8°C at 760 mmHg
• Flash Point: 125.6°C
• PSA: 17.07000
• Density: 1.044g/cm³
• LogP: 3.40270
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 188.120115130
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Cyclopropyl(4-isopropylphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of p-Cumenyl cyclopropyl ketone

There total 2 articles about p-Cumenyl cyclopropyl 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: 93.3%

4-Chloro-1-(4-isopropyl-phenyl)-butan-1-one (70289-38-2) → Cyclopropyl-(4-isopropyl-phenyl)-methanone (6952-91-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at 40 ℃; for 2.5h; pH=2.17 - 12.6;

Reference yield:

→ Cyclopropyl-(4-isopropyl-phenyl)-methanone (6952-91-6)

Guidance literature:

Reference yield: 97.0%

Cyclopropyl-(4-isopropyl-phenyl)-methanone (6952-91-6) → [4-(1-chloro-1-methyl-ethyl)-phenyl]-cyclopropyl-methanone (873072-16-3)

Guidance literature:

With tert-butylhypochlorite; In 4-methyl-1,2,3-trifluorobenzene; at -9 - 26 ℃; for 0.583333h; Product distribution / selectivity; UV-irradiation;

upstream raw materials:

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

Downstream raw materials:

[4-(1-chloro-1-methyl-ethyl)-phenyl]-cyclopropyl-methanone

Refernces

• 1、 -. "METHOD FOR CARBONYLATING PHENYLALKYL DERIVATIVES BY MEANS OF CARBON MONOXIDE". Page/Page column 49-50. . Retrieved 2010/02/15.
• 2、 -. "Intermediates useful for the preparation of antihistaminic piperidine derivatives". . . Retrieved 2008/06/13.