Ethyl beta-chlorovinyl ketone

Base Information

• Chemical Name: Ethyl beta-chlorovinyl ketone
• CAS No.: 105-32-8
• Molecular Formula: C5H7ClO
• Molecular Weight: 118.563
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID701313867
• Mol file: 105-32-8.mol

Synonyms:ethyl beta-chlorovinyl ketone;105-32-8;1-chloropent-1-en-3-one;1-chloro-1-penten-3-one;Chlorvinyl-athyl-keton;CFMFGANUEMXVTA-UHFFFAOYSA-N;DTXSID701313867;AKOS030254807

Chemical Property of Ethyl beta-chlorovinyl ketone

Chemical Property:

• PSA: 17.07000
• LogP: 1.71800
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Acetone, Chloroform, Dichloromethane
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 118.0185425
• Heavy Atom Count: 7
• Complexity: 86.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethylβ-ChlorovinylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C=CCl
• Uses: Intermediate in the synthesis of hypnotic and anticonvulsants.

Technology Process of Ethyl beta-chlorovinyl ketone

There total 3 articles about Ethyl beta-chlorovinyl ketone 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:

(2-bromovinyl)trimethylsilane (41309-43-7,70737-20-1,13682-94-5) + propionyl chloride (79-03-8) → 1-chloro-pent-1-en-3-one (105-32-8) + 1-bromo-pent-1-en-3-one (6140-27-8)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acs.joc.5b01461

Reference yield:

propionyl chloride (79-03-8) + acetylene (74-86-2,25067-58-7) → 1-chloro-pent-1-en-3-one (105-32-8)

Guidance literature:

With aluminium trichloride; In tetrachloromethane;

Reference yield:

→ 1-chloro-pent-1-en-3-one (105-32-8)

Guidance literature:

Propionylchlorid, Acetylen, AlCl3, CCl4 <8 Std., -10 bis -15grad>;

upstream raw materials:

propionyl chloride

acetylene

(2-bromovinyl)trimethylsilane

Downstream raw materials:

(S)-N-[3-(2-methyl-N-tosyl-5-hexenylamino)propyl]-4-pentenamide

(3-Acetoxy-pentadien-(1.3)-yl)-triphenylphosphoniumbromid

(2-Propionyl-1-phenyl-ethyl)-diphenylphosphin-oxid

(2S,3R)-2-Benzyloxymethyl-3-methyl-2,3-dihydro-pyran-4-one

Refernces