2-Methylenecyclopentanone

Base Information

• Chemical Name: 2-Methylenecyclopentanone
• CAS No.: 1489-50-5
• Molecular Formula: C6H8O
• Molecular Weight: 96.1289
• DSSTox Substance ID: DTXSID10499668
• Nikkaji Number: J275.406A
• Wikidata: Q82350661
• Mol file: 1489-50-5.mol

Synonyms:2-methylenecyclopentanone;2-Methylidenecyclopentan-1-one;1489-50-5;methylene cyclopentanone;2-methylene-cyclopentanone;2-methylene-cyclopentan-1-one;DTXSID10499668;AKOS006307088

Chemical Property of 2-Methylenecyclopentanone

Chemical Property:

• Boiling Point: 55-56 °C(Press: 15 Torr)
• PSA: 17.07000
• Density: 0.95±0.1 g/cm3(Predicted)
• LogP: 1.29560
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.057514874
• Heavy Atom Count: 7
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CCCC1=O

Technology Process of 2-Methylenecyclopentanone

There total 4 articles about 2-Methylenecyclopentanone 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: 93.0%

Benzoic acid 1-allyloxycarbonyl-2-oxo-cyclopentylmethyl ester (106729-98-0) → vinyl benzoate (583-04-0) + 2-methylenecyclopentanone (1489-50-5)

Guidance literature:

With triphenylphosphine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In acetonitrile; at 20 - 25 ℃; for 0.333333h;

DOI:10.1016/S0040-4039(00)84562-1

Reference yield:

allyl 1-methyl-2-oxocyclopentane-1-carboxylate (93494-18-9) → 2-Methylcyclopentanone (1120-72-5) + 2-methyl-2-cyclopenten-1-one (1120-73-6) + 2-allyl-2-methylcyclopentan-1-one (32116-66-8) + 2-methylenecyclopentanone (1489-50-5)

Guidance literature:

tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; triphenylphosphine; In acetonitrile; for 1h; Product distribution; Heating; different amounts of added triphenylphosphine;

DOI:10.1055/s-1987-28145

Reference yield:

4,4a,5,6,7,7a-hexahydro-3-phenyl-7a-(trimethylsiloxy)cyclopent-1,2-oxazine (124462-58-4) → benzonitrile (100-47-0) + 2-methylenecyclopentanone (1489-50-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

4,4a,5,6,7,7a-hexahydro-3-phenyl-7a-(trimethylsiloxy)cyclopent-1,2-oxazine

diethyl(methoxymethyl)amine

1-(trimethylsilyloxy)cyclopentene

allyl 1-methyl-2-oxocyclopentane-1-carboxylate

Downstream raw materials:

5-ketohexanoic acid

2-<2-methyl-2-(phenylthio)propyl>-1-cyclopentanone

Tributylphosphine oxide

1,2,3,5-tetrahydrocyclopentacycloheptapyridine

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