2',4'-Dichloroacetophenone

Base Information

• Chemical Name: 2',4'-Dichloroacetophenone
• CAS No.: 2234-16-4
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.041
• Hs Code.: 29143990
• European Community (EC) Number: 218-780-8
• NSC Number: 33945
• UNII: T7F2608H5H
• DSSTox Substance ID: DTXSID1022182
• Nikkaji Number: J31.094H
• Wikidata: Q2813775
• Mol file: 2234-16-4.mol

Synonyms:2',4'-dichloroacetophenone

Chemical Property of 2',4'-Dichloroacetophenone

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 3.2Pa at 25℃
• Melting Point: 33-34 °C(lit.)
• Refractive Index: 1.5635
• Boiling Point: 246.7 °C at 760 mmHg
• Flash Point: 100.9 °C
• PSA: 17.07000
• Density: 1.32 g/cm³
• LogP: 3.19600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol (Slightly)
• Water Solubility.: ca. 200 mg/L
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

2'',4''-Dichloroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-41-52/53-36/37/38
• Safety Statements: 26-39-61-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)Cl)Cl
• Uses: 2′,4′-Dichloroacetophenone was used in the synthesis of the Schiff base derivatives.

Technology Process of 2',4'-Dichloroacetophenone

There total 23 articles about 2',4'-Dichloroacetophenone 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: 96.0%

acetyl chloride (75-36-5) + 1,3-Dichlorobenzene (541-73-1) → 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4)

Guidance literature:

at 60 ℃; for 4h; Ionic liquid; Green chemistry;

Reference yield: 94.0%

2,4-dichlorostyrene (2123-27-5) → 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4)

Guidance literature:

With perchloric acid; oxygen; palladium diacetate; p-benzoquinone; sodium nitrite; In methanol; water; at 20 ℃; for 24h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1039/c3ob40277k

Reference yield: 91.0%

1-(2,4-dichlorophenyl)ethan-1-one oxime (71516-67-1) → 1-(2,4-dichlorophenyl)ethan-1-one (2234-16-4)

Guidance literature:

With hydrogenchloride; sodium chlorite; In water; at 20 ℃; for 0.0833333h;

DOI:10.2174/157017861201150112125024

upstream raw materials:

2,4-dichloro-α-methylbenzyl alcohol

acetyl chloride

1,3-Dichlorobenzene

methyl magnesium iodide

Downstream raw materials:

2-(2,4-dichloro-phenyl)-propionaldehyde

2,4-dichloro-α-methylbenzyl alcohol

2-(2,4-dichloro-phenyl)-2-methyl-[1,3]oxathiolane

2-(2,4-dichlorophenyl)acetamide

Refernces

• 1、 Bennett, Elliot L.,Brookfield, Adam,Guan, Renpeng,Huang, Zhiliang,Mcinnes, Eric J. L.,Robertson, Craig M.,Shanmugam, Muralidharan,Xiao, Jianliang. "Oxidative Cleavage of Alkenes by O2with a Non-Heme Manganese Catalyst". supporting information. p. 10005 - 10013. Retrieved 2021/07/19.
• 2、 -. "Synthesis method of 2, 4-dichloroacetophenone". Paragraph 0011-0014. . Retrieved 2020/05/30.