Cyclopropyl p-tolyl ketone

Base Information

• Chemical Name: Cyclopropyl p-tolyl ketone
• CAS No.: 7143-76-2
• Molecular Formula: C11H12O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• European Community (EC) Number: 230-445-8
• NSC Number: 72445
• DSSTox Substance ID: DTXSID50221622
• Nikkaji Number: J227.392F
• Wikidata: Q83099492
• Mol file: 7143-76-2.mol

Synonyms:7143-76-2;cyclopropyl(4-methylphenyl)methanone;Cyclopropyl p-tolyl ketone;Cyclopropyl(p-tolyl)methanone;CYCLOPROPYL 4-METHYLPHENYL KETONE;cyclopropyl-(4-methylphenyl)methanone;MFCD00019233;EINECS 230-445-8;4-methylphenyl cyclopropyl ketone;NSC72445;SCHEMBL728685;4-Methylphenylcyclopropyl ketone;DTXSID50221622;HMS1744I20;NSC 72445;NSC-72445;AKOS000346274;CYCLOPROPYL P-METHYLPHENYL KETONE;NCGC00329024-01;NS-01251;CS-0234510;FT-0624293;EN300-14254;N12420;AB01322940-02;AS-871/40244694;Z99599706

Chemical Property of Cyclopropyl p-tolyl ketone

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 261 °C at 760 mmHg
• Flash Point: 106.2 °C
• PSA: 17.07000
• Density: 1.093 g/cm³
• LogP: 2.58770
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

cyclopropyl(4-methylphenyl)methanone ^*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)C2CC2

Technology Process of Cyclopropyl p-tolyl ketone

There total 25 articles about Cyclopropyl p-tolyl 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: 90.0%

4-chloro-1-(4-methylphenyl)butan-1-one (38425-26-2) → cyclopropyl-p-tolyl-methanone (7143-76-2)

Guidance literature:

With potassium hydroxide; In methanol; at 8 - 10 ℃; for 0.333333h;

Reference yield: 88.0%

4-tolyl iodide (624-31-7) + 2-cyclopropyl-2-oxoacetic acid (13885-13-7) → cyclopropyl-p-tolyl-methanone (7143-76-2)

Guidance literature:

With (1,2-dimethoxyethane)dichloronickel(II); [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; lithium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; In water; N,N-dimethyl-formamide; for 72h; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201501908

Reference yield: 80.0%

Cyclopropanecarboselenoic acid Se-phenyl ester (73335-19-0) + toluene (108-88-3,15644-74-3,16713-13-6) → cyclopropyl-p-tolyl-methanone (7143-76-2)

Guidance literature:

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

DOI:10.1039/c7cc07529d

upstream raw materials:

4-chloro-1-(4-methylphenyl)butan-1-one

toluene

4-Chlorobutanoyl chloride

2,2,2-trifluoroethanol

Downstream raw materials:

dl-Cyclopropyl-(4-fluorphenyl)-4-tolyl-carbinol

1-(4-methylphenyl)butan-1-one

Cyclopropyl-[2-(4-hydroxy-4-p-tolyl-butyl)-4-methyl-phenyl]-methanone

5-Cyclopropyl-5-hydroxy-1,5-di-p-tolyl-pentan-1-one

Refernces

• 1、 He, Tao,Long, Peng-Wei,Oestreich, Martin. "B(C6F5)3-Catalyzed Hydrosilylation of Vinylcyclopropanes". supporting information. p. 7383 - 7386. Retrieved 2020/10/12.
• 2、 -. "AZETIDINE COMPOUNDS AS GRP119 MODULATORS FOR THE TREATMENT OF DIABETES, OBESITY, DYSLIPIDEMIA AND RELATED DISORDERS". Paragraph 0259. . Retrieved 2018/09/12.