2,2-Dichloro-1-(p-tolyl)ethanone

Base Information

• Chemical Name: 2,2-Dichloro-1-(p-tolyl)ethanone
• CAS No.: 4974-59-8
• Molecular Formula: C9H8 Cl2 O
• Molecular Weight: 203.068
• European Community (EC) Number: 610-478-8
• DSSTox Substance ID: DTXSID20341907
• Nikkaji Number: J502.670I
• Wikidata: Q72466729
• ChEMBL ID: CHEMBL4287933
• Mol file: 4974-59-8.mol

Synonyms:2,2-Dichloro-1-(p-tolyl)ethanone;4974-59-8;2,2-Dichloro-1-(4-methylphenyl)ethanone;2,2-Dichloro-4'-methylacetophenone;MFCD13172989;2,2-Dichloro-1-(p-tolyl)ethan-1-one;Ethanone, 2,2-dichloro-1-(4-methylphenyl)- (9CI);4-(dichloroacetyl)toluene;SCHEMBL7768899;CHEMBL4287933;DTXSID20341907;2,2-Dichloro-1-p-tolyl-ethanone;AMY24865;AKOS022171602;AS-61025;alpha,alpha-Dichloro-4'-methylacetophenone;2,2-Dichloro-1-(4-methylphenyl)ethanone #;CS-0061299;FT-0742583;2,2-dichloro-1-(4-methylphenyl)ethan-1-one;Ethanone, 2,2-dichloro-1-(4-methylphenyl)-;W17856

Chemical Property of 2,2-Dichloro-1-(p-tolyl)ethanone

Chemical Property:

• Vapor Pressure: 0.00445mmHg at 25°C
• Melting Point: 54-56℃
• Refractive Index: 1.545
• Boiling Point: 278℃
• Flash Point: 116℃
• PSA: 17.07000
• Density: 1.266
• LogP: 2.98140
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.9952203
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

2,2-dichloro-1-(p-tolyl)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)C(Cl)Cl

Technology Process of 2,2-Dichloro-1-(p-tolyl)ethanone

There total 30 articles about 2,2-Dichloro-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: 98.0%

para-methylacetophenone (122-00-9) → 2,2-dichloro-4'-methylacetophenone (4974-59-8)

Guidance literature:

para-methylacetophenone; With ammonium chloride; In acetonitrile; for 0.0833333h;

With 1,3-dichloro-5,5-dimethylhydantoin; In acetonitrile; at 35 ℃; for 12h;

DOI:10.1016/j.tet.2014.11.004

Reference yield: 96.0%

2,2,2-trichloro-1-(4-methylphenyl)ethanone (36930-95-7) + phenylmagnesium iodide (16002-63-4) → biphenyl (92-52-4,1594-86-1) + 2,2-dichloro-4'-methylacetophenone (4974-59-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1039/c3cc39147g

Reference yield: 96.0%

4-n-methylphenylacetylene (766-97-2) → 2,2-dichloro-4'-methylacetophenone (4974-59-8)

Guidance literature:

With Oxone; potassium chloride; In water; acetonitrile; at 20 ℃; for 0.25h;

DOI:10.1016/j.tetlet.2013.05.072

upstream raw materials:

dichloroacethyl chloride

toluene

methanol

2,2,2-trichloro-1-(4-methylphenyl)ethanone

Downstream raw materials:

4-methylphenylglyoxal

1-(p-methylphenyl)-2,2-dichloroethanol

2,2,2-trichloro-1-(4-methylphenyl)ethanone

(4-methylphenyl)(oxo)acetic acid