2-Chloro-1-(4-methylphenyl)-1-Propanone

Base Information

• Chemical Name: 2-Chloro-1-(4-methylphenyl)-1-Propanone
• CAS No.: 69673-92-3
• Molecular Formula: C10H11 Cl O
• Molecular Weight: 182.65
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60397589
• Nikkaji Number: J673.810I
• Mol file: 69673-92-3.mol

Synonyms:69673-92-3;2-Chloro-1-(4-methylphenyl)-1-Propanone;2-chloro-1-(4-methylphenyl)propan-1-one;1-PROPANONE, 2-CHLORO-1-(4-METHYLPHENYL)-;2-Chloro-1-p-tolyl-propan-1-one;2-Chloro-1-(p-tolyl)propan-1-one;b-Chloro-4-methylpropiophenone;SCHEMBL10384383;2-Chloro-4'-methylpropiophenone;DTXSID60397589;4'-Methyl-alpha-chloropropiophenone;AKOS000199908;AKOS017269012;AC-1036;AS-64311;CS-0220038;FT-0730983;EN300-05606;D95750;Z56921784

Chemical Property of 2-Chloro-1-(4-methylphenyl)-1-Propanone

Chemical Property:

• Vapor Pressure: 0.00797mmHg at 25°C
• Boiling Point: 267.8°Cat760mmHg
• Flash Point: 138.4°C
• PSA: 17.07000
• Density: 1.103g/cm³
• LogP: 2.80500
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

2-CHLORO-1-P-TOLYL-PROPAN-1-ONE 95.00% ^*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)C(C)Cl
• Uses: 2-Chloro-1-(4-methylphenyl)-1-propanone is an intermediate for the synthesis of Mephedrone Hydrochloride (M224200), which is a stimulant drug related to cathinone and methcathinone. The effects of Mephedrone are reportedly comparable to those of similar drugs such as MDMA and methylone.

Technology Process of 2-Chloro-1-(4-methylphenyl)-1-Propanone

There total 6 articles about 2-Chloro-1-(4-methylphenyl)-1-Propanone 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: 94.0%

4'-methylpropiophenone (5337-93-9) → α-chloro-4-methyl propiophenone (69673-92-3)

Guidance literature:

With Aluminum(III) chloride hexahydrate; urea-hydrogen peroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate; at 60 ℃; for 6h;

DOI:10.1080/00397910500449641

Reference yield: 94.0%

1-p-tolyl-1-propanol (25574-04-3) → α-chloro-4-methyl propiophenone (69673-92-3)

Guidance literature:

With N,N-dichloro-p-toluenesulfonamide; In acetonitrile; at 30 ℃; for 1h;

DOI:10.1246/cl.1990.1125

Reference yield: 91.0%

2-Chloropropionamide (27816-36-0) + toluene (108-88-3,15644-74-3,16713-13-6) → α-chloro-4-methyl propiophenone (69673-92-3)

Guidance literature:

With tin(ll) chloride; at 5 ℃; for 14h; Temperature; Concentration; Reflux;

upstream raw materials:

2-chloropropionyl chloride

toluene

1-p-tolyl-1-propanol

4'-methylpropiophenone

Downstream raw materials:

N-[4-Methyl-5-p-tolyl-[1,3]oxathiol-(2E)-ylidene]-benzamide

2-(phenylthio)-1-(p-tolyl)propan-1-one

(RS)-2-methylamino-1-(4-methylphenyl)propan-1-one hydrochloride

(rac)-2-amino-1-(p-tolyl)propan-1-one hydrochloride

Refernces

• 1、 Kearney, Aoife M.,Murphy, Linda,Murphy, Chloe C.,Eccles, Kevin S.,Lawrence, Simon E.,Collins, Stuart G.,Maguire, Anita R.. "Synthesis and reactivity of α-sulfenyl-β-chloroenones, including oxidation and Stille cross-coupling to form chalcone derivatives". supporting information. . Retrieved 2021/05/04.
• 2、 Mayer,Wimmer,Dillon-Carter,Partilla,Burchardt,Mihovilovic,Baumann,Sitte. "Phase I metabolites of mephedrone display biological activity as substrates at monoamine transporters". . p. 2657 - 2668. Retrieved 2016/10/19.