1,2-Diacetylethylene

Base Information

• Chemical Name: 1,2-Diacetylethylene
• CAS No.: 4436-75-3
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• Hs Code.: 2914190090
• European Community (EC) Number: 621-529-9
• Nikkaji Number: J1.333.925B
• Mol file: 4436-75-3.mol

Synonyms:1,2-Diacetylethylene;hex-3-ene-2,5-dione;4436-75-3;2,3,4-Hexatriene-2,5-diol;MFCD00052840;AKOS024429205;SY233697

Chemical Property of 1,2-Diacetylethylene

Chemical Property:

• Vapor Pressure: 0.168mmHg at 25°C
• Boiling Point: 213°Cat760mmHg
• Flash Point: 76.4°C
• PSA: 34.14000
• Density: 0.971g/cm³
• LogP: 0.72060
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 118

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C=CC(=O)C

Technology Process of 1,2-Diacetylethylene

There total 8 articles about 1,2-Diacetylethylene 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: 17.0%

2-furancarbonitrile (617-90-3) + diazoacetone (2684-62-0) → 3-hexene-2,5-dione (4436-75-3) + 2-(furan-2'-yl)-5-methyloxazole (121262-22-4) + 3-cyano-6-acetyl-2-oxabicyclo<3.1.0>hex-3-ene (121262-21-3)

Guidance literature:

With rhodium(II) acetate;

DOI:10.1007/BF00952639

Reference yield:

2,5-dimethylfuran (625-86-5) → 5-Methylfurfural (620-02-0) + 3-hexene-2,5-dione (4436-75-3) + 2-hydroxymethyl-5-methylfuran (3857-25-8)

Guidance literature:

With oxygen; at 50.33 ℃; under 7500.75 Torr; Temperature; Pressure;

DOI:10.1016/j.tca.2021.179078

Reference yield:

2,5-dimethylfuran (625-86-5) → 3-hexene-2,5-dione (4436-75-3) + Glyoxal (131543-46-9,107-22-2) + 2-oxopropanal (78-98-8)

Guidance literature:

With hydroxyl radical; nitrogen(II) oxide; at 22.84 ℃; under 735 Torr; Gas phase;

DOI:10.1021/jp410345k

upstream raw materials:

2-furancarbonitrile

diazoacetone

5-hydroxyhex-3-yn-2-one

carbon dioxide

Downstream raw materials:

1,2-Diacetyl-cyclohexen-(4)

2,5-hexanedione

Refernces

• 1、 Su, Esra,Guven, Alaettin,Kani, Ibrahim. "Oxygen bridged Homobinuclear Mn(II) compounds with Anthranilic acid: Theoretical calculations, oxidation and catalase activity". . . Retrieved 2018/02/07.
• 2、 Abbas, Muddasar,Leitgeb, Anita,Slugovc, Christian. "Low catalyst loading in the cross metathesis of olefins with methyl vinyl ketone". . p. 1193 - 1196. Retrieved 2013/07/11.