Diethyl 1-hydroxybutylphosphonate

Base Information

• Chemical Name: Diethyl 1-hydroxybutylphosphonate
• CAS No.: 17477-67-7
• Molecular Formula: C8H19 O4 P
• Molecular Weight: 210.21
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID00334014
• Nikkaji Number: J462.902G
• Mol file: 17477-67-7.mol

Synonyms:Diethyl 1-hydroxybutylphosphonate;17477-67-7;1-diethoxyphosphorylbutan-1-ol;Phosphonic acid, (1-hydroxybutyl)-, diethyl ester;DIETHYL-1-HYDROXYBUTYLPHOSPHONATE;SCHEMBL2821620;DTXSID00334014;1-(Diethoxyphosphinyl)-1-butanol;diethyl alpha-hydroxybutylphosphonate;FT-0624816

Chemical Property of Diethyl 1-hydroxybutylphosphonate

Chemical Property:

• Vapor Pressure: 0.000323mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 285.3°C at 760 mmHg
• Flash Point: 126.3°C
• PSA: 65.57000
• Density: 1.076g/cm³
• LogP: 2.37100
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 210.10209608
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL-1-HYDROXYBUTYLPHOSPHANATE 98.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(O)P(=O)(OCC)OCC

Technology Process of Diethyl 1-hydroxybutylphosphonate

There total 7 articles about Diethyl 1-hydroxybutylphosphonate 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%

butyraldehyde (123-72-8) + phosphonic acid diethyl ester (762-04-9) → diethyl 1-hydroxybutylphosphonate (17477-67-7)

Guidance literature:

With [(μ-η⁵:η¹):η¹:η¹-3-(2-C₄H₃NCH=NCH₂CH₂)C₈H₅N]Yb₃(μ₃-O)-(μ₂-Cl)₂(THF)₂[N(SiMe₃)₂]; In neat (no solvent); at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1039/c3dt51107c

Reference yield: 85.0%

Diethyl phosphonate (762-04-9,123-22-8) + butyraldehyde (123-72-8) → diethyl 1-hydroxybutylphosphonate (17477-67-7)

Guidance literature:

With tert-butylimino-tris(dimethylamino)phosphorane; In diethyl ether; for 20h; Ambient temperature;

DOI:10.1055/s-1995-4083

Reference yield: 30.0%

phosphonic acid diethyl ester (762-04-9) + butan-1-ol (71-36-3) → diethyl 1-hydroxybutylphosphonate (17477-67-7)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; copper dichloride; In decane; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/asia.201201062

upstream raw materials:

sodium diethyl phosphite

butyraldehyde

phosphonic acid diethyl ester

triethyl phosphite

Downstream raw materials:

<1-p-Toluolsulfonyloxy-butylphosphonsaeure>-diaethylester

C₁₅H₂₃O₅P

((S)-1-Hydroxy-butyl)-phosphonic acid diethyl ester

butyraldehyde