Deppepo

Base Information

• Chemical Name: Deppepo
• CAS No.: 436099-08-0
• Molecular Formula: C16H24NO4P
• Molecular Weight: 325.34
• DSSTox Substance ID: DTXSID70393118
• Nikkaji Number: J1.823.961B
• Mol file: 436099-08-0.mol

Synonyms:DEPPEPO;436099-08-0;2-(Diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-Oxide;2-diethoxyphosphoryl-1-oxido-2-(2-phenylethyl)-3,4-dihydropyrrol-1-ium;DTXSID70393118;FT-0666725;2-(diethoxy phosphoryl)-2-phenethyl-3,4-dihydro-2h-pyrrole-1-oxide;2-(Diethoxyphosphinyl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-oxide

Chemical Property of Deppepo

Chemical Property:

• Vapor Pressure: 2.66E-10mmHg at 25°C
• Boiling Point: 517.6°C at 760 mmHg
• PKA: 1.68±0.40(Predicted)
• Flash Point: 266.8°C
• PSA: 74.09000
• Density: 1.15g/cm³
• LogP: 3.91530
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform, Methanol
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 325.14429524
• Heavy Atom Count: 22
• Complexity: 424

Purity/Quality:

99% ^*data from raw suppliers

2-(Diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole1-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C1(CCC=[N+]1[O-])CCC2=CC=CC=C2)OCC
• Uses: 2-(Diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-Oxide is a spin trap useful as a probe for free radical formation during myocardial ischemia/reperfusion injury. A spin trap useful as a probe for free radical formation during myocardial ischemia/reperfusion injury. An analogue of DMPO.

Technology Process of Deppepo

There total 4 articles about Deppepo 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: 34.7%

diethyl (2-phenethylpyrrolidin-2-yl)phosphonate (434941-00-1) → 2-(diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-oxide (436099-08-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform; at -10 ℃; for 1h;

DOI:10.1021/jo020126+

Reference yield:

2-methyl-1H-pyrroline (872-32-2) → 2-(diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-oxide (436099-08-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / n-BuLi / tetrahydrofuran / 1 h / -78 °C

2: 90 percent / 168 h / 20 °C

3: 34.7 percent / m-chloroperbenzoic acid / CHCl₃ / 1 h / -10 °C

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; chloroform;

DOI:10.1021/jo020126+

Reference yield:

benzyl bromide (100-39-0) → 2-(diethoxyphosphoryl)-2-phenethyl-3,4-dihydro-2H-pyrrole 1-oxide (436099-08-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / n-BuLi / tetrahydrofuran / 1 h / -78 °C

2: 90 percent / 168 h / 20 °C

3: 34.7 percent / m-chloroperbenzoic acid / CHCl₃ / 1 h / -10 °C

With n-butyllithium; 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; chloroform;

DOI:10.1021/jo020126+

upstream raw materials:

diethyl (2-phenethylpyrrolidin-2-yl)phosphonate

2-methyl-1H-pyrroline

benzyl bromide

2-(1-phenylethyl)-3,4-dihydro-5H-pyrrole