Diethyl 1-phenylethyl phosphate

Base Information

• Chemical Name: Diethyl 1-phenylethyl phosphate
• CAS No.: 34881-06-6
• Molecular Formula: C12H19O4P
• Molecular Weight: 258.254
• DSSTox Substance ID: DTXSID60547108
• Nikkaji Number: J864.301F
• Mol file: 34881-06-6.mol

Synonyms:Diethyl 1-phenylethyl phosphate;34881-06-6;diethyl a-methylbenzyl phosphate;DTXSID60547108

Chemical Property of Diethyl 1-phenylethyl phosphate

Chemical Property:

• PSA: 54.57000
• LogP: 3.94530
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 258.10209608
• Heavy Atom Count: 17
• Complexity: 241

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Diethyl 1-phenylethyl phosphate

There total 13 articles about Diethyl 1-phenylethyl phosphate 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: 92.0%

1-Phenylethanol (98-85-1,13323-81-4) + diethyl chlorophosphate (814-49-3) → (+/-)-1-phenylethyl diethyl phosphate (34881-06-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at -78 - 18 ℃;

DOI:10.1016/j.tetasy.2005.08.025

Reference yield: 90.0%

phosphonic acid diethyl ester (762-04-9) + acetophenone (98-86-2) → (+/-)-1-phenylethyl diethyl phosphate (34881-06-6)

Guidance literature:

phosphonic acid diethyl ester; With n-butyllithium; In hexane; at 0 ℃; for 0.0333333h; Inert atmosphere;

acetophenone; In hexane; at 0 - 25 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.04.073

Reference yield: 57.0%

1-Phenylethanol (98-85-1,13323-81-4) + C14H20NO5P → (+/-)-1-phenylethyl diethyl phosphate (34881-06-6)

Guidance literature:

1-Phenylethanol; With methylmagnesium chloride; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃; for 1h;

C₁₄H₂₀NO₅P; In tetrahydrofuran; dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.tetasy.2014.08.003

upstream raw materials:

phosphonic acid diethyl ester

acetophenone

methanol

(S)-(-)-Phpophorsaeure-diethylester-(1-phenylethylester)

Downstream raw materials:

1-Phenylethanol

1,1,2-Triphenylpropane

1-methyl-4-(1-phenylethyl)benzene

1-(2-tolyl)-1-phenylethane