2-Chloro-1-p-tolyl-ethanone

Base Information

• Chemical Name: 2-Chloro-1-p-tolyl-ethanone
• CAS No.: 4209-24-9
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.623
• Hs Code.: 2914700090
• European Community (EC) Number: 840-211-2
• NSC Number: 41667
• DSSTox Substance ID: DTXSID10285402
• Nikkaji Number: J135.059E
• Wikidata: Q72455439
• Mol file: 4209-24-9.mol

Synonyms:4209-24-9;2-chloro-1-p-tolyl-ethanone;2-chloro-1-(4-methylphenyl)ethanone;Chloromethyl p-tolyl ketone;2-chloro-1-(4-methylphenyl)ethan-1-one;2-Chloro-1-(p-tolyl)ethanone;2-Chloro-4'-Methylacetophenone;p-methylphenacyl chloride;4-(2-Chloroacetyl)toluene;NSC41667;4-methylphenacylchloride;4-methylphenacyl chloride;Chloromethylp-tolyl ketone;2-chloro-1-p-tolylethanone;SCHEMBL846835;2-chloro-1-(p-tolyl)-ethanone;DTXSID10285402;alpha-chloro-4'-methylacetophenone;1-chloro-2-(4-tolyl)ethan-2-one;MFCD00972094;NSC 41667;NSC-41667;STL197971;AKOS000117249;2-chloro-1-(4'-methylphenyl) ethanone;BS-33877;ethanone, 2-chloro-1-(4-methylphenyl)-;CS-0213065;FT-0635181;EN300-04687;D93745;A825757;Z56886309

Chemical Property of 2-Chloro-1-p-tolyl-ethanone

Chemical Property:

• Vapor Pressure: 0.0137mmHg at 25°C
• Melting Point: 57.5°C
• Refractive Index: 1.53
• Boiling Point: 258.5 °C at 760 mmHg
• Flash Point: 125.1 °C
• PSA: 17.07000
• Density: 1.135 g/cm³
• LogP: 2.41650
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

98%min ^*data from raw suppliers

2-chloro-1-(4-methylphenyl)ethanone ^*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)CCl

Technology Process of 2-Chloro-1-p-tolyl-ethanone

There total 30 articles about 2-Chloro-1-p-tolyl-ethanone 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: 99.0%

para-methylacetophenone (122-00-9) → p-methylphenacyl chloride (4209-24-9)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In methanol; 1,2-dichloro-ethane; for 3h; Heating;

DOI:10.1055/s-1988-27633

Reference yield: 96.0%

4-(bromoacetyl)toluene (619-41-0) → p-methylphenacyl chloride (4209-24-9)

Guidance literature:

With benzenesulfonyl chloride; In acetonitrile; at 85 ℃; for 4h;

DOI:10.1016/j.bmcl.2018.07.031

Reference yield: 95.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) → p-methylphenacyl chloride (4209-24-9)

Guidance literature:

With magnesium(II) chloride hexahydrate; oxygen; lithium perchlorate; manganese(ll) chloride; In dichloromethane; acetone; at 40 ℃; for 40h; Electrochemical reaction;

DOI:10.1039/c9cc06746a

upstream raw materials:

chloroacetyl chloride

toluene

Chloroacetic anhydride

1-ethenyl-4-methylbenzene

Downstream raw materials:

5-methoxy-2-(4-methylphenyl)-1H-indole

2-methyl-4-(4′-methylphenyl)thiazole

N-hydroxy-2-oxo-2-p-tolyl-acetimidoyl chloride

2-phenoxy-1-p-tolylethanone

Refernces

• 1、 Wang, Zhihui,Wang, Lei,Wang, Zhiming,Li, Pinhua,Zhang, Yicheng. "A practical synthesis of α-bromo/iodo/chloroketones from olefins under visible-light irradiation conditions". supporting information. p. 429 - 432. Retrieved 2020/02/29.
• 2、 Luo, Zhibin,Meng, Yunge,Gong, Xinchi,Wu, Jie,Zhang, Yulan,Ye, Long-Wu,Zhu, Chunyin. "Facile Synthesis of α-Haloketones by Aerobic Oxidation of Olefins Using KX as Nonhazardous Halogen Source". supporting information. p. 173 - 177. Retrieved 2020/01/02.