4-Chlorobenzyl diethyl phosphate

Base Information

• Chemical Name: 4-Chlorobenzyl diethyl phosphate
• CAS No.: 95458-82-5
• Molecular Formula: C11H16ClO4P
• Molecular Weight: 278.672
• DSSTox Substance ID: DTXSID10460994
• Nikkaji Number: J1.972.714I
• Wikidata: Q82285204
• Mol file: 95458-82-5.mol

Synonyms:4-chlorobenzyl diethyl phosphate;95458-82-5;diethyl 4-chlorobenzyl phosphate;SCHEMBL1242447;DTXSID10460994;OAYWHBIVRKFUJQ-UHFFFAOYSA-N

Chemical Property of 4-Chlorobenzyl diethyl phosphate

Chemical Property:

• PSA: 54.57000
• LogP: 4.03770
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 278.0474737
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OCC1=CC=C(C=C1)Cl

Technology Process of 4-Chlorobenzyl diethyl phosphate

There total 3 articles about 4-Chlorobenzyl diethyl 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: 100.0%

allyl methyl carbonate (35466-83-2) + diethyl (4-chlorophenyl)(hydroxy)methylphosphonate (108054-54-2,20641-28-5) → diethyl 4-chlorobenzyl phosphate (95458-82-5)

Guidance literature:

With caesium carbonate; In toluene; at 50 ℃; Inert atmosphere;

DOI:10.1002/adsc.201701150

Reference yield: 90.0%

4-chlorobenzaldehyde (104-88-1) + phosphonic acid diethyl ester (762-04-9) → diethyl 4-chlorobenzyl phosphate (95458-82-5)

Guidance literature:

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

4-chlorobenzaldehyde; In hexane; at 0 - 60 ℃; for 0.333333h; Inert atmosphere;

DOI:10.1016/j.tetlet.2015.04.073

Reference yield: 89.0%

diethyl chlorophosphate (814-49-3) + para-Chlorobenzyl alcohol (873-76-7) → diethyl 4-chlorobenzyl phosphate (95458-82-5)

Guidance literature:

With dmap; triethylamine; In tetrahydrofuran; for 16h;

DOI:10.1021/ol0517271

upstream raw materials:

diethyl chlorophosphate

para-Chlorobenzyl alcohol

4-chlorobenzaldehyde

phosphonic acid diethyl ester

Downstream raw materials:

2-(4'-chlorophenyl)-1-phenylethan-1-ol

2-(4-chlorophenyl)-1-phenylethanone

4-chlorophenyl(phenyl)methane

1-chloro-4-(iodomethyl)benzene