Pyrrolidine, 1-methyl-, 1-oxide

Base Information

• Chemical Name: Pyrrolidine, 1-methyl-, 1-oxide
• CAS No.: 7529-17-1
• Molecular Formula: C5H11NO
• Molecular Weight: 101.148
• UNII: 3AG3AB9JHQ
• DSSTox Substance ID: DTXSID10435203
• Nikkaji Number: J1.737.187H
• Wikidata: Q82249962
• Mol file: 7529-17-1.mol

Synonyms:Nmp-N-oxide;Pyrrolidine, 1-methyl-, 1-oxide;1-Methylpyrrolidine 1-oxide;7529-17-1;N-methylpyrrolidine oxide;3AG3AB9JHQ;n-methylpyrrolidine n-oxide;UNII-3AG3AB9JHQ;n-methylpyrrolidine-n-oxide;SCHEMBL366404;DTXSID10435203

Chemical Property of Pyrrolidine, 1-methyl-, 1-oxide

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 101.084063974
• Heavy Atom Count: 7
• Complexity: 66.5

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCCC1)[O-]

Technology Process of Pyrrolidine, 1-methyl-, 1-oxide

There total 3 articles about Pyrrolidine, 1-methyl-, 1-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:

1-Methylpyrrolidine (120-94-5) → 2-pyrrolidinon (616-45-5) + 1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 2-oxo-pyrrolidine-1-carbaldehyde (40321-44-6) + N-methylpyrrolidine N-oxide (7529-17-1)

Guidance literature:

With oxygen; In water; at 55 ℃; Mechanism; relative rates of tertiary aliphatic amines oxidation, var. initiators, var. inhibitors, irradiation, var. solvents, var. temperatures;

Reference yield:

1-Methylpyrrolidine (120-94-5) → N-cyanomethyl pyrrolidine (29134-29-0) + 1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 1-methyl-2-pyrrolidinecarbonitrile (20297-37-4) + N-methylpyrrolidine N-oxide (7529-17-1)

Guidance literature:

With potassium cyanide; oxygen; In water; at 80 ℃; for 48h; under 1520 Torr; Title compound not separated from byproducts;

Reference yield:

1-Methylpyrrolidine (120-94-5) + potassium cyanide (151-50-8) → N-cyanomethyl pyrrolidine (29134-29-0) + 1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + 1-methyl-2-pyrrolidinecarbonitrile (20297-37-4) + N-methylpyrrolidine N-oxide (7529-17-1)

Guidance literature:

With oxygen; In water; at 80 ℃; for 48h; under 1520 Torr; Title compound not separated from byproducts;

upstream raw materials:

1-Methylpyrrolidine

potassium cyanide

Downstream raw materials:

1-Phenyl-hexahydro-pyrrolizine

2-Phenyl-hexahydro-pyrrolizine

cis (2Z,8Z) 1,2-diphenylhexahydropyrrolizine

trans-butenedial bis-(dimethyl acetal)

Refernces