3-Iodocyclopentanone

Base Information

• Chemical Name: 3-Iodocyclopentanone
• CAS No.: 86613-17-4
• Molecular Formula: C₅H₇IO
• Molecular Weight: 210.014
• DSSTox Substance ID: DTXSID60574873
• Mol file: 86613-17-4.mol

Synonyms:3-Iodocyclopentanone;86613-17-4;3-iodocyclopentan-1-one;SCHEMBL171722;DTXSID60574873

Chemical Property of 3-Iodocyclopentanone

Chemical Property:

• PSA: 17.07000
• LogP: 1.54300
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.95416
• Heavy Atom Count: 7
• Complexity: 90.1

Purity/Quality:

95-99% ^*data from raw suppliers

3-Iodocyclopentanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)CC1I
• Uses: 3-Iodocyclopentanone is the derivative of 2-Cyclopenten-1-one (C988465), which is a chemical reagent used in the synthesis of LY354740, an important glutamate receptor agonist with anticonvulsant and anxiolytic properties. Also used in the synthesis of Armillarivin.

Technology Process of 3-Iodocyclopentanone

There total 2 articles about 3-Iodocyclopentanone 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: 74.0%

1,3-cyclopentadione (3859-41-4) → 3-iodocyclopentenone (86613-17-4)

Guidance literature:

With iodine; triphenylphosphine; In acetonitrile; at 20 ℃; for 27h; Inert atmosphere; Reflux;

Reference yield:

cyclopent-2-enone (930-30-3) → 3-iodocyclopentenone (86613-17-4)

Guidance literature:

With tetraethylammonium iodide; trifluoroacetic acid; Ambient temperature;

DOI:10.1016/S0040-4020(01)88558-6

upstream raw materials:

cyclopent-2-enone

1,3-cyclopentadione