Chloroacetylacetone

Base Information

• Chemical Name: Chloroacetylacetone
• CAS No.: 7660-21-1
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.562
• DSSTox Substance ID: DTXSID301311926
• Nikkaji Number: J715.192F
• Mol file: 7660-21-1.mol

Synonyms:Chloroacetylacetone;3-chloroacetyl acetone;1-chloro-2,4-pentanedione;7660-21-1;alpha-chloroacetylacetone;3-chloro acetyl acetone;SCHEMBL183408;DTXSID301311926;AKOS006386108

Chemical Property of Chloroacetylacetone

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)CCl

Technology Process of Chloroacetylacetone

There total 1 articles about Chloroacetylacetone 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:

acetylacetone (123-54-6,81235-32-7) → 1,1-dichloro-pentane-2,4-dione (53009-77-1) + 3-chloroacetyl acetone (7660-21-1)

Guidance literature:

With thionyl chloride; at 20 ℃; for 5h; under 750.075 Torr;

Reference yield: 87.0%

3-chloroacetyl acetone (7660-21-1) + para-bromobenzenethiol (106-53-6) → (E)-3-((4-bromophenyl)thio)-4-hydroxypent-3-en-2-one

Guidance literature:

With pyridine; In diethyl ether; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.7b01547

Reference yield: 85.0%

4-hydroxythiobenzamide (25984-63-8) + 3-chloroacetyl acetone (7660-21-1) → 2-(4-hydroxyphenyl)-4-methy-5-acetylthiazole

Guidance literature:

In ethanol; for 5h; Reflux;

DOI:10.1016/j.ejmech.2016.11.042

upstream raw materials:

acetylacetone

Downstream raw materials:

Acetol acetate

C₁₀H₇Cl₂F₃N₂O

5-methyl-3(2H)-furanone

5-acetyl-2,4-dimethylthiazole