cis-3-Hexene-2,5-dione

Base Information

• Chemical Name: cis-3-Hexene-2,5-dione
• CAS No.: 17559-81-8
• Molecular Formula: C6H8O2
• Molecular Weight: 112.128
• European Community (EC) Number: 621-529-9
• NSC Number: 38025,11746
• Nikkaji Number: J325.197G
• Mol file: 17559-81-8.mol

Synonyms:cis-3-hexene-2,5-dione;(Z)-hex-3-ene-2,5-dione;17559-81-8;3-Hexene-2,5-dione, (Z)-;3-Hexene-2,5-dione, (3Z)-;1,2-Diacetylethylene;4436-75-3;(Z)-3-Hexene-2,5-dione;SCHEMBL9911578;(3Z)-hex-3-ene-2,5-dione;OTSKZNVDZOOHRX-ARJAWSKDSA-N;NSC11746;NSC38025;NSC-11746;NSC-38025

Chemical Property of cis-3-Hexene-2,5-dione

Chemical Property:

• Vapor Pressure: 0.168mmHg at 25°C
• Boiling Point: 213°C at 760 mmHg
• Flash Point: 76.4°C
• Density: 0.971g/cm³
• 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% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC(=O)C
• Isomeric SMILES: CC(=O)/C=C\C(=O)C

Technology Process of cis-3-Hexene-2,5-dione

There total 29 articles about cis-3-Hexene-2,5-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: 99.0%

2,5-dimethylfuran (625-86-5) → (Z)-hex-3-ene-2,5-dione (17559-81-8)

Guidance literature:

With magnesium monoperoxyphthalate hexahydrate; In ethanol; water; for 0.25h; Ambient temperature;

DOI:10.1016/S0040-4039(00)97328-3

Reference yield: 94.0%

2-methoxy-5-hydroperoxy-2,5-dimethylfuran (13249-74-6) → (Z)-hex-3-ene-2,5-dione (17559-81-8)

Guidance literature:

With acetic acid; potassium iodide;

Reference yield: 81.0%

diazoacetone (2684-62-0) → (Z)-hex-3-ene-2,5-dione (17559-81-8)

Guidance literature:

chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); In toluene; at 65 ℃;

DOI:10.1039/a706459d

upstream raw materials:

2,5-dimethoxy-2,5-dimethyl-2,5-dihydro-furan

2,5-dimethylfuran

2-(trifluoromethyl)-3,3-difluorooxaziridine

2,5-DIMETHYLTHIOPHENE

Downstream raw materials:

(E)-hex-3-ene-2,5-dione

cis-4,5-diacetyl-cyclohexene

5-ethoxy-hexa-3,5-dien-2-one

4-hydroxy-4-methyl-2-cyclopenten-1-one