2-Ethyl-1,3-cyclopentanedione

Base Information

• Chemical Name: 2-Ethyl-1,3-cyclopentanedione
• CAS No.: 823-36-9
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• Hs Code.: 2914299000
• European Community (EC) Number: 212-512-3
• UNII: 91A82TE3OS
• DSSTox Substance ID: DTXSID60231671
• Nikkaji Number: J145.028J
• Wikidata: Q27271392
• Mol file: 823-36-9.mol

Synonyms:2-Ethylcyclopentane-1,3-dione;UNII-91A82TE3OS;1,3-Cyclopentanedione, 2-ethyl-;

Chemical Property of 2-Ethyl-1,3-cyclopentanedione

Chemical Property:

• Appearance/Colour: off-white to yellow-beige crystalline powder
• Vapor Pressure: 0.0186mmHg at 25°C
• Melting Point: 172-175 °C
• Refractive Index: 1.53
• Boiling Point: 232.9 °C at 760 mmHg
• PKA: 10.87±0.20(Predicted)
• Flash Point: 84.8 °C
• PSA: 34.14000
• Density: 1.057 g/cm³
• LogP: 0.94460
• Solubility.: soluble in Methanol
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-1,3-cyclopentanedione ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)CCC1=O

Technology Process of 2-Ethyl-1,3-cyclopentanedione

There total 11 articles about 2-Ethyl-1,3-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: 96.0%

2-acetylcyclopentane-1,3-dione (3859-39-0) → 2-ethylcyclopentane-1,3-dione (823-36-9)

Guidance literature:

With triethylsilane; boron trifluoride diethyl etherate; In trifluoroacetic acid; Ambient temperature;

Reference yield: 90.0%

1,3-cyclopentadione (3859-41-4) + acetaldehyde (75-07-0,9002-91-9) → 2-ethylcyclopentane-1,3-dione (823-36-9) + C13H16O4 (1093646-55-9)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline; In dichloromethane; at 25 ℃; for 0.25h;

DOI:10.1039/b807999d

Reference yield: 75.0%

1,3-cyclopentadione (3859-41-4) + acetaldehyde (75-07-0,9002-91-9) → 2-ethylcyclopentane-1,3-dione (823-36-9)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1039/c5cc05926g

upstream raw materials:

3-ethyl-cyclopentane-1,2,4-trione

2-acetylcyclopentane-1,3-dione

2-(1-Ethoxy-propyl)-2-trimethylsilanyloxy-cyclobutanone

2-(Diphenylmethyl)-2-ethyl-1,3-cyclopentandion

Downstream raw materials:

2-[6-(3,5-dimethoxyphenyl)-3-oxohexyl]-2-ethylcyclopentane-1,3-dione

(2S)-Ethyl-3-[4-(3-ethyl-isoquinolin-1-ylamino)phenyl]-2-[(2-ethyl-3-oxo-1-cyclopentenyl)amino]propionate

2-(6-m-methoxyphenyl-3-oxoheptyl)-2-ethylcyclopentane-1,3-dione

Refernces

• 1、 Kallepu, Shivakrishna,Gollapelli, Krishna Kumar,Nanubolu, Jagadeesh Babu,Chegondi, Rambabu. "Synthesis of highly strained bicyclic[3.n.1]alkenes by a metal-catalyzed Conia-ene reaction". supporting information. p. 16840 - 16843. Retrieved 2015/11/27.
• 2、 Schulz, Sabrina R.,Blechert, Siegfried. "Palladium-catalyzed synthesis of substituted cycloheptane-1,4-diones by an asymmetric ring-expanding allylation (AREA)". . p. 3966 - 3970. Retrieved 2008/03/12.