N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide

Base Information

• Chemical Name: N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide
• CAS No.: 251451-30-6
• Molecular Formula: C₁₆H₂₁N₃O₃
• Molecular Weight: 303.361
• Hs Code.: 2934990002
• European Community (EC) Number: 682-425-7
• DSSTox Substance ID: DTXSID00438344
• Mol file: 251451-30-6.mol

Synonyms:251451-30-6;N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide;2-Oxazolidinone, 4-[[3-[2-(dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-;DTXSID00438344;2-Oxazolidinone, 4-((3-(2-(dimethyloxidoamino)ethyl)-1H-indol-5-yl)methyl)-, (4S)-;AKOS030255659;FT-0675920;J-015837

Chemical Property of N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide

Chemical Property:

• Melting Point: >185°C (dec.)
• PKA: 12.55±0.40(Predicted)
• PSA: 83.55000
• LogP: 2.28520
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 303.15829154
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

98%Min ^*data from raw suppliers

Zolmitriptan N-oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](C)(CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3)[O-]
• Uses: A metabolite of Zolmitriptan A metabolite of Zolmitriptan. Zolmitriptan USP Related Compound E.

Technology Process of N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide

There total 1 articles about N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide 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: 90.0%

zolmitriptan (139264-17-8,139264-24-7,139264-82-7) → Zolmitriptan N-oxide (251451-30-6)

Guidance literature:

With sodium tungstate (VI) dihydrate; methanesulfonic acid; dihydrogen peroxide; In methanol; water; at 50 - 55 ℃;

upstream raw materials:

zolmitriptan

Refernces