Oxapium iodide

Base Information

• Chemical Name: Oxapium iodide
• CAS No.: 6577-41-9
• Molecular Formula: C22H34NO2
• Molecular Weight: 471.422
• UNII: 682380CG4N
• DSSTox Substance ID: DTXSID6046925
• Wikipedia: Oxapium_iodide
• Wikidata: Q10859610
• NCI Thesaurus Code: C90697
• ChEMBL ID: CHEMBL2107009
• Mol file: 6577-41-9.mol

Synonyms:2-cyclohexyl-r-2-phenyl-c-4-piperidinomethyl-1,3-dioxolan methiodide;2-cyclohexyl-r-2-phenyl-t-4-piperidinomethyl-1,3-dioxolan methiodide;cyclonium;cyclonium bromide;cyclonium iodide;oxapium iodide

Chemical Property of Oxapium iodide

Chemical Property:

• PSA: 18.46000
• LogP: 1.42840
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 471.16343
• Heavy Atom Count: 26
• Complexity: 422

Purity/Quality:

99%min ^*data from raw suppliers

OXAPIUM IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCCC1)CC2COC(O2)(C3CCCCC3)C4=CC=CC=C4.[I-]

Technology Process of Oxapium iodide

There total 2 articles about Oxapium iodide 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: 82.1%

2-phenyl-2-cyclohexyl-4-piperidinylmethyl-1,3-dioxolane (65471-77-4) + methyl iodide (74-88-4) → oxapium iodide (6577-41-9)

Guidance literature:

In ethanol; at 20 ℃; for 28h; Time;

Reference yield:

Cyclohexyl phenyl ketone (712-50-5) → oxapium iodide (6577-41-9)

Guidance literature:

Multi-step reaction with 3 steps

1: boron trifluoride diethyl etherate / 7 h / 0 - 5 °C

2: aluminum (III) chloride / ethanol / 5 h / 35 °C

3: ethanol / 28 h / 20 °C

With aluminum (III) chloride; boron trifluoride diethyl etherate; In ethanol;

upstream raw materials:

Cyclohexyl phenyl ketone

2-phenyl-2-cyclohexyl-4-piperidinylmethyl-1,3-dioxolane

methyl iodide

Refernces