3,4-dihydro-2H-pyrrole 1-oxide

Base Information

• Chemical Name: 3,4-dihydro-2H-pyrrole 1-oxide
• CAS No.: 24423-88-9
• Molecular Formula: C4H7NO
• Molecular Weight: 85.1057
• NSC Number: 174264
• DSSTox Substance ID: DTXSID10306146
• Nikkaji Number: J304.635D
• Wikidata: Q82053089
• Mol file: 24423-88-9.mol

Synonyms:24423-88-9;3,4-dihydro-2H-pyrrole 1-oxide;NSC174264;1-pyrroline n-oxide;DTXSID10306146;SIZSLAYQYNQFCH-UHFFFAOYSA-N;NSC-174264;1-Oxo-3,4-dihydro-2H-1lambda~5~-pyrrole

Chemical Property of 3,4-dihydro-2H-pyrrole 1-oxide

Chemical Property:

• Vapor Pressure: 0.00147mmHg at 25°C
• Boiling Point: 305.6°Cat760mmHg
• Flash Point: 182.2°C
• Density: 1.01g/cm³
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 77.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=[N+](C1)[O-]

Technology Process of 3,4-dihydro-2H-pyrrole 1-oxide

There total 9 articles about 3,4-dihydro-2H-pyrrole 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: 100.0%

pyrrolidin-1-ol (5904-62-1) → 1-pyrroline N-oxide (24423-88-9)

Guidance literature:

With ~ 5 mol% gold on silica; In methanol; for 2h; chemoselective reaction; Reflux;

DOI:10.1002/ejoc.201501001

Reference yield: 90.0%

pyrrolidine (123-75-1) → 1-pyrroline N-oxide (24423-88-9)

Guidance literature:

With urea hydrogen peroxide adduct; methyltrioxorhenium(VII); In methanol; dichloromethane; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ol800982n

Reference yield: 56.0%

L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7) → 1-pyrroline N-oxide (24423-88-9)

Guidance literature:

With peroxomonosulfate; ethylenediaminetetraacetic acid; sodium hydrogencarbonate; In tetrahydrofuran; water; acetonitrile; at 5 ℃; for 2.33333h; Inert atmosphere;

DOI:10.1021/jo901108u

upstream raw materials:

pyrrolidin-1-ol

pyrrolidine

2-cyano-1-hydroxypyrrolidine

L-proline

Downstream raw materials:

3-phenyl-tetrahydro-pyrrolo[1,2-b][1,2,4]oxadiazol-2-one

1-Hydroxy-2-phenylpyrrolidine

pyrrolidin-1-ol

2-phenyl-hexahydro-pyrrolo[1,2-b]isoxazole