1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone
• CAS No.: 164165-77-9
• Molecular Formula: C10H10Cl2O
• Molecular Weight: 217.0918
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20595928
• Nikkaji Number: J662.365D
• Wikidata: Q72466043
• Mol file: 164165-77-9.mol

Synonyms:1-(2,5-DICHLORO-3,6-DIMETHYLPHENYL)ETHANONE;164165-77-9;ETHANONE, 1-(2,5-DICHLORO-3,6-DIMETHYLPHENYL)-;1-(2,5-Dichloro-3,6-dimethylphenyl)ethan-1-one;SCHEMBL6729980;DTXSID20595928;MFCD17779313;AKOS016005577;BS-15584;DB-064523;CS-0153742;1-(2,5-Dichloro-3,6-dimethylphenyl ethanone;F12138;A882478;J-502913

Chemical Property of 1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone

Chemical Property:

• Boiling Point: 289.7±40.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.223
• LogP: 3.81280
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 216.0108703
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C(=O)C)C)Cl
• Uses: 1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone is an intermediate in the synthesis of 5(6)-Hexachlorocarboxyfluorescein (C278325); a chlorinated version of 5(6)-Carboxyfluorescein (C178315). 5(6)-FAM, A useful reagent for the preparation of hydrolytically stable fluorescent conjugates and is a useful starting material for the synthesis of other fluorescein-derives reagent.

Technology Process of 1-(2,5-Dichloro-3,6-dimethylphenyl)ethanone

There total 3 articles about 1-(2,5-Dichloro-3,6-dimethylphenyl)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: 60.0%

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) + acetyl chloride (75-36-5) → 2,5-dimethyl-3,6-dichloroacetophenone (164165-77-9)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; for 5.5h; Reflux; Inert atmosphere;

DOI:10.1021/op000292o

Reference yield:

1,4-dichloro-2,5-dimethylbenzene (1124-05-6) + acetyl chloride (75-36-5) → dichlorotrimellitic acid-The + 2,5-dimethyl-3,6-dichloroacetophenone (164165-77-9)

Guidance literature:

aluminium trichloride;

Reference yield:

2,5-dimethyl-3,6-dichlorophenacyl chloride → 2,5-dimethyl-3,6-dichloroacetophenone (164165-77-9)

Guidance literature:

With Isopropylbenzene; tetrabutylammomium bromide; at 100 ℃; for 66h;

DOI:10.1021/ja00116a053

upstream raw materials:

1,4-dichloro-2,5-dimethylbenzene

acetyl chloride