Diethyl 1-naphthylmethyl phosphate

Base Information

• Chemical Name: Diethyl 1-naphthylmethyl phosphate
• CAS No.: 64050-53-9
• Molecular Formula: C15H19 O4 P
• Molecular Weight: 294.287
• DSSTox Substance ID: DTXSID00214180
• Nikkaji Number: J96.811K
• Wikidata: Q83089965
• Mol file: 64050-53-9.mol

Synonyms:Diethyl 1-naphthylmethyl phosphate;64050-53-9;Phosphoric acid, diethyl 1-naphthylmethyl ester;Diethyl (naphthalen-1-ylmethyl) phosphate;BRN 5563942;DTXSID00214180

Chemical Property of Diethyl 1-naphthylmethyl phosphate

Chemical Property:

• Vapor Pressure: 1.29E-06mmHg at 25°C
• Boiling Point: 411.9°Cat760mmHg
• Flash Point: 216.3°C
• PSA: 54.57000
• Density: 1.181g/cm³
• LogP: 4.53750
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 294.10209608
• Heavy Atom Count: 20
• Complexity: 324

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OCC1=CC=CC2=CC=CC=C21

Technology Process of Diethyl 1-naphthylmethyl phosphate

There total 3 articles about Diethyl 1-naphthylmethyl 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: 85.0%

1-naphthalene methanol (4780-79-4) + diethyl chlorophosphate (814-49-3) → diethyl α-naphthylmethyl phosphate (64050-53-9)

Guidance literature:

With indium(III) chloride; triethylamine; In tetrahydrofuran; at 20 ℃; for 1.45h;

Reference yield: 80.0%

1-naphthaldehyde (66-77-3) + phosphonic acid diethyl ester (762-04-9) → diethyl α-naphthylmethyl phosphate (64050-53-9)

Guidance literature:

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

1-naphthaldehyde; In hexane; at 0 - 60 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.04.073

Reference yield: 69.0%

diethyl hydroxy(naphth-1-yl)methylphosphonate (1090-21-7) → diethyl α-naphthylmethyl phosphate (64050-53-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmcl.2008.10.125

upstream raw materials:

1-naphthalene methanol

diethyl chlorophosphate

1-naphthaldehyde

phosphonic acid diethyl ester

Downstream raw materials:

1,1'-dinaphthylmethane

1-Benzyl-naphthalene

N-(naphthalene-1-ylmethyl)acetamide

1-(methoxymethyl)naphthalene