Hex-4-ene-2,3-dione

Base Information

• Chemical Name: Hex-4-ene-2,3-dione
• CAS No.: 19248-36-3
• Molecular Formula: C6H8 O2
• Molecular Weight: 112.128
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID60702396
• Mol file: 19248-36-3.mol

Synonyms:hex-4-ene-2,3-dione;19248-36-3;hexenedione;SCHEMBL15163777;DTXSID60702396

Chemical Property of Hex-4-ene-2,3-dione

Chemical Property:

• PSA: 34.14000
• LogP: 0.72060
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 134

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)C(=O)C

Technology Process of Hex-4-ene-2,3-dione

There total 5 articles about Hex-4-ene-2,3-dione 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: 5.0%

acetic anhydride (108-24-7) + crotonaldehyde (123-73-9,4170-30-3) → hex-4-ene-2,3-dione (19248-36-3) + dimethylglyoxal (431-03-8)

Guidance literature:

cobalt(II) chloride; In acetonitrile; for 24h; Ambient temperature;

DOI:10.1039/c39870000692

Reference yield:

hex-4-en-1-yn-3-one (13061-80-8) → hex-4-ene-2,3-dione (19248-36-3)

Guidance literature:

With sulfuric acid; mercury(II) sulfate;

DOI:10.1039/jr9640002187

Reference yield:

3,3-diethoxy-hex-4-en-1-yne (99181-29-0) → hex-4-ene-2,3-dione (19248-36-3)

Guidance literature:

With boron trifluoride diethyl etherate; mercury(II) oxide;

upstream raw materials:

hex-4-en-1-yn-3-one

3,3-diethoxy-hex-4-en-1-yne

acetic anhydride

crotonaldehyde

Refernces