2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine

Base Information

• Chemical Name: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine
• CAS No.: 434941-00-1
• Molecular Formula: C16H26NO3P
• Molecular Weight: 343
• DSSTox Substance ID: DTXSID90452776
• Mol file: 434941-00-1.mol

Synonyms:2-diethoxyphosphoryl-2-phenethyl-pyrrolidine;434941-00-1;2-diethoxyphosphoryl-2-(2-phenylethyl)pyrrolidine;AGN-PC-0NESCU;DTXSID90452776;FT-0666726

Chemical Property of 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine

Chemical Property:

• PSA: 57.37000
• LogP: 4.29380
• Solubility.: Dichloromethane, Ethanol, Ethyl Acetate, Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 311.16503069
• Heavy Atom Count: 21
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(C1(CCCN1)CCC2=CC=CC=C2)OCC
• Uses: 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine (cas# 434941-00-1) is a compound useful in organic synthesis.

Technology Process of 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine

There total 3 articles about 2-Diethoxyphosphoryl-2-phenethyl-pyrrolidine 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%

2-(1-phenylethyl)-3,4-dihydro-5H-pyrrole (106366-23-8) + phosphonic acid diethyl ester (762-04-9) → diethyl (2-phenethylpyrrolidin-2-yl)phosphonate (434941-00-1)

Guidance literature:

at 20 ℃; for 168h;

DOI:10.1021/jo020126+

Reference yield:

2-methyl-1H-pyrroline (872-32-2) → diethyl (2-phenethylpyrrolidin-2-yl)phosphonate (434941-00-1)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 90 percent / 168 h / 20 °C

With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/jo020126+

Reference yield:

benzyl bromide (100-39-0) → diethyl (2-phenethylpyrrolidin-2-yl)phosphonate (434941-00-1)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 90 percent / 168 h / 20 °C

With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/jo020126+

upstream raw materials:

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

phosphonic acid diethyl ester

2-methyl-1H-pyrroline

benzyl bromide

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