Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester

Base Information

• Chemical Name: Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester
• CAS No.: 39118-50-8
• Molecular Formula: C6H13 O5 P
• Molecular Weight: 196.14
• Hs Code.: 2931900090
• European Community (EC) Number: 254-301-9
• UNII: Z2KNQ4M6WQ
• DSSTox Substance ID: DTXSID50192368
• Nikkaji Number: J261.312C
• Wikidata: Q83065024
• Mol file: 39118-50-8.mol

Synonyms:39118-50-8;2-dimethoxyphosphorylethyl acetate;Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester;Dimethyl (2-acetoxyethyl)phosphonate;2-Dimethylphosphonoethyl acetate;dimethyl 2-acetoxyethylphosphonate;EINECS 254-301-9;(2-(Acetyloxy)ethyl)phosphonic acid dimethyl ester;BRN 1777722;Phosphonic acid,[2-(acetyloxy)ethyl]-, dimethyl ester (9CI);2-(dimethoxyphosphoryl)ethyl acetate;EC 254-301-9;[2-(Acetyloxy)ethyl]phosphonic acid dimethyl ester;Phosphonic acid, [2-(acetyloxy)ethyl]-, dimethyl ester;Z2KNQ4M6WQ;[2-(Acetyloxy)-ethyl]-phosphonic acid dimethyl ester;SCHEMBL2466611;DTXSID50192368;dimethyl 2-acetoxyethanephosphonate;2-(dimethoxyphosphoryl)ethylacetate;2-(Dimethoxyphosphinyl)ethyl acetate;MFCD00043867;AKOS017342889;Dimethyl P-[2-(acetyloxy)ethyl]phosphonate;LS-106407;2-acetoxyethanephosphonic acid dimethyl ester;FT-0639527;2-acetoxyethane phosphonic acid dimethyl ester;2-acetoxyethane-phosphonic acid dimethyl ester;Phosphonic acid, P-[2-(acetyloxy)ethyl]-, dimethyl ester

Chemical Property of Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.0123mmHg at 25°C
• Refractive Index: 1.435-1.437
• Boiling Point: 260.4 °C at 760 mmHg
• Flash Point: 125.3 °C
• PSA: 71.64000
• Density: 1.167 g/cm³
• LogP: 1.03540
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 196.05006051
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99.9% ^*data from raw suppliers

DIMETHYL 2-ACETOXYETHYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCP(=O)(OC)OC

Technology Process of Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester

There total 3 articles about Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl 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: 95.0%

vinyl acetate (108-05-4,9003-20-7) + methyl phosphite (96-36-6,868-85-9) → 2-acetoxyethanephosphonic acid dimethyl ester (39118-50-8)

Guidance literature:

methyl phosphite; With di-tert-butyl peroxide; at 130 ℃; for 0.25h; under 1500.12 Torr;

vinyl acetate; With di-tert-butyl peroxide; at 130 - 150 ℃; for 4h;

DOI:10.1080/10426500108040229

Reference yield: 89.0%

vinyl acetate (108-05-4,9003-20-7) + Dimethyl phosphite (868-85-9) → 2-acetoxyethanephosphonic acid dimethyl ester (39118-50-8)

Guidance literature:

With 2-tert-butylperoxy-2-methylpentan-4-one; at 135 - 140 ℃; for 0.5h;

DOI:10.1007/BF00758439

Reference yield:

→ 2-acetoxyethanephosphonic acid dimethyl ester (39118-50-8)

Guidance literature:

(CH3O)2POH, CH2=CH-OCOCH3;

upstream raw materials:

vinyl acetate

Dimethyl phosphite

methyl phosphite

Downstream raw materials:

2-chloroethylphosphonic acid

β-Hydroxyethanphosphonsaeure

β-Acetoxyethanphosphonsaeure

dimethyl 2-hydroxyethylphosphonate

Refernces

• 1、 Boutevin,Hervaud,Jeanmaire,Boulahna,Elasri. "-". . p. 1 - 14. Retrieved 2007/10/03.