Phosphonic acid, butyryl-, diethyl ester, oxime

Base Information

• Chemical Name: Phosphonic acid, butyryl-, diethyl ester, oxime
• CAS No.: 73790-29-1
• Molecular Formula: C₈H₁₈NO₄P
• Molecular Weight: 223.209
• Nikkaji Number: J92.092D
• Mol file: 73790-29-1.mol

Synonyms:Oxime of diethyl butyrylphosphonate;Phosphonic acid, butyryl-, diethyl ester, oxime;BRN 2966905;73790-29-1;Phosphonic acid, (1-oxobutyl)-, diethyl ester, oxime;LS-106725;(1-Hydroxyiminobutyl)phosphonic acid diethyl ester;Phosphonic acid, [1-(hydroxyimino)butyl]-, diethyl ester

Chemical Property of Phosphonic acid, butyryl-, diethyl ester, oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 298.9°Cat760mmHg
• PKA: 9.29±0.11(Predicted)
• Flash Point: 134.6°C
• PSA: 77.93000
• Density: 1.16g/cm³
• LogP: 2.84030
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 223.09734505
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=NO)P(=O)(OCC)OCC
• Isomeric SMILES: CCC/C(=N/O)/P(=O)(OCC)OCC

Technology Process of Phosphonic acid, butyryl-, diethyl ester, oxime

There total 2 articles about Phosphonic acid, butyryl-, diethyl ester, oxime 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:

diethyl butyrylphosphonate (13504-60-4) → [1-(hydroxyimino)butyl]-phosphonic acid, diethyl ester (73790-29-1)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In ethanol; at 20 ℃; for 12h;

DOI:10.1021/ol203132h

Reference yield:

→ [1-(hydroxyimino)butyl]-phosphonic acid, diethyl ester (73790-29-1)

Guidance literature:

Butyrylphosphonsaeure-diaethylester u. Hydroxylamin-hydrochlorid;

DOI:10.1021/ja01018a076

Reference yield:

[1-(hydroxyimino)butyl]-phosphonic acid, diethyl ester (73790-29-1) → diethyl 1-(3,4-dimethoxyphenyl)-4-nitro-1-oxoheptan-4-ylphosphonate

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C

2: C₂₇H₃₁N₅O₃S / 5,5-dimethyl-1,3-cyclohexadiene; 1,3,5-trimethyl-benzene / 40 - 65 h / -65 °C

With C₂₇H₃₁N₅O₃S; 3-chloro-benzenecarboperoxoic acid; In 5,5-dimethyl-1,3-cyclohexadiene; dichloromethane; 1,3,5-trimethyl-benzene; 2: Michael condensation;

DOI:10.1021/ol203132h

upstream raw materials:

diethyl butyrylphosphonate