Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide

Base Information

• Chemical Name: Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide
• CAS No.: 41760-84-3
• Molecular Formula: C6H13 O5 P
• Molecular Weight: 196.14
• Hs Code.: 2931900090
• European Community (EC) Number: 255-538-0
• DSSTox Substance ID: DTXSID2068349
• Nikkaji Number: J278.268E
• Wikidata: Q81995068
• Mol file: 41760-84-3.mol

Synonyms:methyl diethoxyphosphorylformate;41760-84-3;Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide;Diethyl (methoxycarbonyl)phosphonate;Diethyl carbomethoxyphosphonate;EINECS 255-538-0;Phosphonic acid, (methoxycarbonyl)-, diethyl ester;Phosphinecarboxylic acid, 1,1-diethoxy-, methyl ester, 1-oxide;SCHEMBL2236212;diethyl methoxycarbonylphosphonate;DTXSID2068349;AMY16738;AKOS003600266;Diethoxy(methoxycarbonyl)phosphine oxide;METHYL (DIETHOXYPHOSPHORYL)FORMATE

Chemical Property of Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide

Chemical Property:

• Vapor Pressure: 0.0266mmHg at 25°C
• Boiling Point: 246.8°Cat760mmHg
• Flash Point: 117.2°C
• PSA: 71.64000
• Density: 1.167g/cm³
• LogP: 2.01890
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 196.05006051
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide

There total 2 articles about Phosphinecarboxylic acid, diethoxy-, methyl ester, oxide 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: 100.0%

methyl chloroformate (79-22-1) + triethyl phosphite (122-52-1) → diethyl methoxycarbonylphosphonate (41760-84-3)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

Reference yield: 87.0%

→ diethyl methoxycarbonylphosphonate (41760-84-3)

Guidance literature:

Reference yield: 100.0%

diethyl methoxycarbonylphosphonate (41760-84-3) → methoxycarbonylphosphonic acid (55920-68-8)

Guidance literature:

With trimethylsilyl bromide; In acetonitrile; at 65 ℃; for 2h;

upstream raw materials:

methyl chloroformate

triethyl phosphite

Downstream raw materials:

diethyl carbamoylphosphonate

diethyl methyl phosphate

Diethyl methylphosphonate

methoxycarbonylphosphonic acid

Refernces

• 1、 Yamada, Christina M.,Dellinger, Douglas J.,Caruthers, Marvin H.. "Synthesis and biochemical evaluation of phosphonoformate oligodeoxyribonucleotides". . p. 5251 - 5261. Retrieved 2007/10/03.
• 2、 -. "Carbamoylphosphonates". . . Retrieved 2008/06/13.