Phosphonic acid, ethyl-, monoethyl ester

Base Information

• Chemical Name: Phosphonic acid, ethyl-, monoethyl ester
• CAS No.: 7305-61-5
• Molecular Formula: C4H11O3P
• Molecular Weight: 138.103
• NSC Number: 289394
• DSSTox Substance ID: DTXSID50223328,DTXSID60968051
• Nikkaji Number: J761.499C
• Mol file: 7305-61-5.mol

Synonyms:ETHYL HYDROGEN ETHYLPHOSPHONATE;Ethylphosphonic acid ethyl ester;7305-61-5;O-Ethyl ethanephosphonic acid;O-ETHYL ETHYLPHOSPHONATE;Phosphonic acid, ethyl-, monoethyl ester;O-Ethyl hydrogen ethylphosphonate;Phosphonic acid, ethyl-, ethyl ester;BRN 1749049;4-04-00-03524 (Beilstein Handbook Reference);53396-55-7;ethoxy(ethyl)phosphinic acid;ethyl ethylphosphonate;O-ethylethylphosphonic acid;SCHEMBL1661755;DTXSID50223328;DTXSID60968051;NSC289394;AKOS006278198;NSC-289394;LS-106613

Chemical Property of Phosphonic acid, ethyl-, monoethyl ester

Chemical Property:

• Vapor Pressure: 0.155mmHg at 25°C
• Boiling Point: 198.1°C at 760 mmHg
• PKA: 2.98±0.10(Predicted)
• Flash Point: 73.6°C
• PSA: 56.34000
• Density: 1.126g/cm³
• LogP: 1.22820
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 138.04458121
• Heavy Atom Count: 8
• Complexity: 102

Purity/Quality:

ETHYL HYDROGEN ETHYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC)O

Technology Process of Phosphonic acid, ethyl-, monoethyl ester

There total 6 articles about Phosphonic acid, ethyl-, monoethyl ester 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:

paraoxon (546-71-4,8053-54-1) + p-Octylphenol (1806-26-4) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + ethyl hydrogen ethylphosphonate (7305-61-5) + 4-octylphenyl ethyl ethylphosphonate

Guidance literature:

With sodium hydroxide; In acetonitrile; at 40 ℃; Kinetics;

DOI:10.1080/10587250108028678

Reference yield:

paraoxon (546-71-4,8053-54-1) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + ethyl hydrogen ethylphosphonate (7305-61-5)

Guidance literature:

With potassium chloride; bis(N,N-dimethylacetamide)hydrogen dibromobromate; In water; at 25 ℃; pH=11.35; Reagent/catalyst; pH-value; Kinetics;

DOI:10.1134/S1070428008050011

Reference yield:

ethanol (64-17-5) + ethylphosphonic acid (6779-09-5) → ethyl hydrogen ethylphosphonate (7305-61-5) + ethylphosphonic acid diethyl ester (78-38-6)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 160 ℃; for 6h; Overall yield = 71 percent; Microwave irradiation; Green chemistry;

DOI:10.3390/molecules26175303

upstream raw materials:

Ethyl-thiophosphonsaeure-O-ethyl-S-n-butylester

paraoxon

p-Octylphenol

ethanol

Downstream raw materials:

Ethyl methyl ethylphosphonate

ethylphosphonic acid diethyl ester

Refernces

• 1、 Prokop'eva,Mikhailov,Turovskaya,Karpichev,Burakov,Savelova,Kapitanov,Popov. "New sources of "active" halogen bis(dialkylamide)hydrogen dibromobromates, efficient reagents for destruction of ecotoxicants". experimental part. p. 637 - 646. Retrieved 2009/04/10.
• 2、 Simanenko,Popov,Prokop'eva,Karpichev,Savelova,Suprun,Bunton. "Inorganic anionic oxygen-containing α-nucleophiles - Effective acyl group acceptors: Hydroxylamine ranks first among the α-nucleophile series". . p. 1286 - 1298. Retrieved 2007/10/03.