3,5-Dimethyl-1,2-cyclopentanedione

Base Information

• Chemical Name: 3,5-Dimethyl-1,2-cyclopentanedione
• CAS No.: 13494-07-0
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• Hs Code.: 2914299000
• UNII: DV18V4XD6W
• Mol file: 13494-07-0.mol

Synonyms:3,5-Dimethylcyclopentane-1,2-dione

Chemical Property of 3,5-Dimethyl-1,2-cyclopentanedione

Chemical Property:

• Appearance/Colour: white to pale yellow crystalline powder
• Vapor Pressure: 0.633mmHg at 25°C
• Melting Point: 87-95 °C(lit.)
• Refractive Index: 1.45
• Boiling Point: 187.365 °C at 760 mmHg
• Flash Point: 63.628 °C
• PSA: 34.14000
• Density: 1.037 g/cm³
• LogP: 0.80050
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-1,2-cyclopentadione ≥97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC(C(=O)C1=O)C
• Isomeric SMILES: C[C@@H]1C[C@@H](C(=O)C1=O)C

Technology Process of 3,5-Dimethyl-1,2-cyclopentanedione

There total 4 articles about 3,5-Dimethyl-1,2-cyclopentanedione 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:

→ 3,5-dimethyl-1,2-cyclopentanedione (13494-07-0)

Guidance literature:

With hydrogen iodide;

DOI:10.1016/0040-4020(63)85019-X

Reference yield:

4,5-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester (10088-87-6) + methyl iodide (74-88-4) → 3,5-dimethyl-1,2-cyclopentanedione (13494-07-0)

Guidance literature:

With sodium ethanolate; Erhitzen des Reaktionsprodukts mit wss. H₂SO₄;

DOI:10.1016/0040-4020(63)85019-X

Reference yield:

3,5-dimethyl-cyclopent-3-ene-1,2-dione (2687-69-6) → 3,5-dimethyl-1,2-cyclopentanedione (13494-07-0)

Guidance literature:

With Lindlar's catalyst; diethyl ether; Hydrogenation;

upstream raw materials:

3,5-dimethyl-cyclopent-3-ene-1,2-dione

4,5-dioxo-cyclopentane-1,3-dicarboxylic acid diethyl ester

methyl iodide

Downstream raw materials:

2,(2,6-diisopropylphenylamino)-3,5-dimethylcyclopent-2-enone

3-(4-chlorobenzyl)-6,8-dimethyl-1-propyl-7,8-dihydro-1H-cyclopenta[g]pteridine-2,4(3H,6H)-dione

2,4-dimethyl-4-<(dimethylcarbamoyl)thio>-2-cyclopenten-1-one

Refernces