2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one

Base Information

• Chemical Name: 2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one
• CAS No.: 121069-00-9
• Molecular Formula: C10H10 Cl2 O
• Molecular Weight: 217.095
• ChEMBL ID: CHEMBL4284545
• DSSTox Substance ID: DTXSID10579873
• Nikkaji Number: J502.671G
• Wikidata: Q82470513
• Mol file: 121069-00-9.mol

Synonyms:121069-00-9;Ethanone, 2,2-dichloro-1-(4-ethylphenyl)- (9CI);2,2-DICHLORO-1-(4-ETHYLPHENYL)ETHANONE;2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one;SCHEMBL8385131;CHEMBL4284545;DTXSID10579873;MFCD13173319

Chemical Property of 2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 3.23540
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 216.0108703
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)C(Cl)Cl

Technology Process of 2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one

There total 4 articles about 2,2-Dichloro-1-(4-ethylphenyl)ethan-1-one 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-ethylacetophenone (937-30-4) → 2,2-dichloro-1-(4-ethylphenyl)ethan-1-one (121069-00-9)

Guidance literature:

With benzyltrimethylazanium tetrachloro-λ³-iodanuide; acetic acid; at 70 ℃; for 6h;

DOI:10.1246/bcsj.65.2549

Reference yield: 85.3%

dichloroacethyl chloride (79-36-7) + ethylbenzene (100-41-4,27536-89-6) → 2,2-dichloro-1-(4-ethylphenyl)ethan-1-one (121069-00-9)

Guidance literature:

dichloroacethyl chloride; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.166667h;

ethylbenzene; In dichloromethane;

DOI:10.1016/j.bmcl.2018.09.026

Reference yield: 74.0%

1-ethyl-4-ethynylbenzene (40307-11-7) → 2,2-dichloro-1-(4-ethylphenyl)ethan-1-one (121069-00-9)

Guidance literature:

With hydrogenchloride; sulfuric acid; lithium perchlorate; In water; acetonitrile; at 10 - 20 ℃; for 4.25h; Electrochemical reaction; Electrolysis; Green chemistry;

DOI:10.1016/j.cclet.2020.02.030

upstream raw materials:

4-ethylacetophenone

1-ethyl-4-ethynylbenzene

dichloroacethyl chloride

ethylbenzene