2-Acetylcyclopentanone

Base Information

• Chemical Name: 2-Acetylcyclopentanone
• CAS No.: 1670-46-8
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• Hs Code.: 29142900
• European Community (EC) Number: 216-797-5
• NSC Number: 141181
• DSSTox Substance ID: DTXSID90862730
• Nikkaji Number: J80.282D
• ChEMBL ID: CHEMBL305069
• Mol file: 1670-46-8.mol

Synonyms:2-acetylcyclopentanone

Chemical Property of 2-Acetylcyclopentanone

Chemical Property:

• Appearance/Colour: clear light yellow to brown liquid
• Vapor Pressure: 0.00713mmHg at 25°C
• Melting Point: 60-70℃
• Refractive Index: n20/D 1.489(lit.)
• Boiling Point: 197.181 °C at 760 mmHg
• PKA: 10.87±0.20(Predicted)
• Flash Point: 72.778 °C
• PSA: 34.14000
• Density: 1.083 g/cm³
• LogP: 0.94460
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 149

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Acetylcyclopentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCCC1=O

Technology Process of 2-Acetylcyclopentanone

There total 24 articles about 2-Acetylcyclopentanone 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: 60.8%

acetic anhydride (108-24-7) + cyclopentanone (120-92-3) → 2-acetylcyclopentanaone (1670-46-8)

Guidance literature:

With boron trifluoride;

DOI:10.1021/jo00227a009

Reference yield:

1-(trimethylsilyloxy)cyclopentene (19980-43-9) + acetyl chloride (75-36-5) → dodecane (112-40-3) + 2-acetylcyclopentanaone (1670-46-8) + cyclopentanone (120-92-3) + 1-acetoxycyclopentene (933-06-2)

Guidance literature:

With antimony(III) chloride; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo00147a011

Reference yield:

1-(N-morpholino)cyclopent-1-ene (936-52-7) + acetyl chloride (75-36-5) → 2-acetylcyclopentanaone (1670-46-8)

Guidance literature:

With triethylamine;

DOI:10.1016/S0040-4020(01)92733-4

upstream raw materials:

1-methyl-7-oxabicyclo<4.1.0>heptan-2-one

diethyl ether

ethyl 6-oxoheptanoate

sodium ethanolate

Downstream raw materials:

6-oxoheptanoic acid

2-(2,4-dinitro-phenyl)-6-methoxy-3-methyl-2,4,5,6-tetrahydro-cyclopentapyrazole

Ethyl 3-methylcyclopentapyrrole-2-carboxylate

ethyl 3-methyl-2,4,5,6-tetrahydrocyclopentapyrrole-1-carboxylate

Refernces

• 1、 Gao, Chao,Li, Xiao,Liu, Kun-Lin,Teng, Fei,Xiong, Lu,Yu, Luo-Ting. "Discovery of quinolone derivatives as antimycobacterial agents". . p. 24095 - 24115. Retrieved 2021/07/29.
• 2、 -. "Method for preparing chiral diphosphines". . . Retrieved 2008/06/13.