1-Diethoxyphosphorylethanol

Base Information

• Chemical Name: 1-Diethoxyphosphorylethanol
• CAS No.: 15336-73-9
• Molecular Formula: C6H15 O4 P
• Molecular Weight: 182.156
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50333890
• Nikkaji Number: J462.900K
• Mol file: 15336-73-9.mol

Synonyms:1-diethoxyphosphorylethanol;15336-73-9;diethyl 1-hydroxyethylphosphonate;diethyl (1-hydroxyethyl)phosphonate;DIETHYL (1-HYDROXYETHYL)PHOSPHONATE, 97;Phosphonic acid, 1-hydroxyethyl-diethyl ester;SCHEMBL3822346;DTXSID50333890;MFCD00221548;AKOS030240081;1-Hydroxyethylphosphonic acid diethyl ester

Chemical Property of 1-Diethoxyphosphorylethanol

Chemical Property:

• Refractive Index: n20/D 1.436(lit.)
• Boiling Point: 139-140 °C/6 mmHg(lit.)
• PKA: 13.07±0.20(Predicted)
• Flash Point: 52 °C
• PSA: 65.57000
• Density: 1.119 g/mL at 25 °C(lit.)
• LogP: 1.59080
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 182.07079595
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Diethoxyphosphorylethanol

There total 3 articles about 1-Diethoxyphosphorylethanol 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: 72.0%

acetaldehyde (75-07-0,9002-91-9) + triethyl phosphite (122-52-1) → diethyl 1-hydroxyethylphosphonate (15336-73-9) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; dichloromethane; at -10 ℃; for 1h;

DOI:10.1055/s-2006-950200

Reference yield: 40.0%

diethyl α-tert-butoxyethylphosphonate (117365-25-0) → diethyl 1-hydroxyethylphosphonate (15336-73-9) + isobutene (115-11-7,15220-85-6)

Guidance literature:

Heating;

Reference yield: 11.0%

diethyl acetylphosphonate (919-19-7) → diethyl 1-hydroxyethylphosphonate (15336-73-9) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 1h;

DOI:10.1134/S1070428007080167

upstream raw materials:

diethyl α-tert-butoxyethylphosphonate

acetaldehyde

triethyl phosphite

diethyl acetylphosphonate

Downstream raw materials:

diethyl (1-(phenylthio)ethyl)phosphonate

diethyl 1-(tosyloxy)ethylphosphonate

(1-{N-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenyl]aminooxy}-ethyl)-phosphonic acid diethyl ester

{1-[1-(2,4-Dichloro-phenyl)-meth-(E)-ylideneaminooxy]-ethyl}-phosphonic acid diethyl ester

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