1-Diethoxyphosphoryl-1-phenylethanol

Base Information

• Chemical Name: 1-Diethoxyphosphoryl-1-phenylethanol
• CAS No.: 34881-11-3
• Molecular Formula: C12H19O4P
• Molecular Weight: 258.254
• DSSTox Substance ID: DTXSID60395262
• Nikkaji Number: J722.495H
• Mol file: 34881-11-3.mol

Synonyms:1-diethoxyphosphoryl-1-phenylethanol;34881-11-3;Phosphonic acid, (1-hydroxy-1-phenylethyl)-, diethyl ester;SCHEMBL7743938;DTXSID60395262;STL327063;AKOS022101513;1-Phenyl-1-(diethoxyphosphinyl)ethanol;diethyl 1-hydroxy-1-phenylethylphosphonate;diethyl (1-hydroxy-1-phenylethyl)phosphonate

Chemical Property of 1-Diethoxyphosphoryl-1-phenylethanol

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 258.10209608
• Heavy Atom Count: 17
• Complexity: 266

Purity/Quality:

1-DIETHOXYPHOSPHORYL-1-PHENYLETHANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C)(C1=CC=CC=C1)O)OCC

Technology Process of 1-Diethoxyphosphoryl-1-phenylethanol

There total 9 articles about 1-Diethoxyphosphoryl-1-phenylethanol 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: 98.0%

phosphonic acid diethyl ester (762-04-9) + acetophenone (98-86-2) → diethyl 1-hydroxy-1-phenylethylphosphonate (34881-11-3)

Guidance literature:

phosphonic acid diethyl ester; With n-butyllithium; In hexane; for 0.0833333h; Inert atmosphere; Sealed tube;

acetophenone; In hexane; at 0 ℃; for 0.0833333h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.joc.0c01721

Reference yield: 88.0%

Diethyl-α,α-methyltrimethylsiloxybenzylphosphonat (54599-18-7) → diethyl 1-hydroxy-1-phenylethylphosphonate (34881-11-3)

Guidance literature:

With trifluoroacetic acid; In methanol;

DOI:10.1021/ja00347a054

Reference yield: 70.0%

acetophenone (98-86-2) + triethyl phosphite (122-52-1) → diethyl 1-hydroxy-1-phenylethylphosphonate (34881-11-3)

Guidance literature:

With pyridine hydroiodide; In dichloromethane; at 40 ℃; for 5h; Inert atmosphere;

DOI:10.1134/S1070363210040055

upstream raw materials:

Diethyl-α,α-methyltrimethylsiloxybenzylphosphonat

phosphonic acid diethyl ester

acetophenone

Diethyl phosphonate

Downstream raw materials:

acetophenone

Methanesulfonic acid 1-(diethoxy-phosphoryl)-1-phenyl-ethyl ester

Acetic acid 1-(diethoxy-phosphoryl)-1-phenyl-ethyl ester

(1-Ethoxy-1-phenyl-ethyl)-phosphonic acid diethyl ester