Diethyl ((diethylamino)methyl)phosphonate

Base Information

• Chemical Name: Diethyl ((diethylamino)methyl)phosphonate
• CAS No.: 995-14-2
• Molecular Formula: C9H22 N O3 P
• Molecular Weight: 223.252
• European Community (EC) Number: 213-622-4
• NSC Number: 43646
• DSSTox Substance ID: DTXSID00244088
• Nikkaji Number: J298.597G
• Wikidata: Q83128369
• Mol file: 995-14-2.mol

Synonyms:995-14-2;diethyl[(diethylamino)methyl]phosphonate;Diethyl ((diethylamino)methyl)phosphonate;EINECS 213-622-4;Diethyl [(diethylamino)methyl]phosphonate;NSC43646;C9H22NO3P;SCHEMBL5050661;DTXSID00244088;C9-H22-N-O3-P;diethyl diethylaminomethylphosphonate;NSC 43646;NSC-43646;Diethoxy(diethylaminomethyl)phosphine oxide;Phosphonic acid, ((diethylamino)methyl)-, diethyl ester

Chemical Property of Diethyl ((diethylamino)methyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.00566mmHg at 25°C
• Boiling Point: 273.7°Cat760mmHg
• Flash Point: 119.3°C
• Density: 1.009g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 223.13373056
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

DIETHYL [(DIETHYLAMINO)METHYL]PHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CP(=O)(OCC)OCC

Technology Process of Diethyl ((diethylamino)methyl)phosphonate

There total 18 articles about Diethyl ((diethylamino)methyl)phosphonate 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: 96.0%

bis-(diethylamino)methane (102-53-4) + diethyl trimethylsilyl phosphite (13716-45-5) → diethyl <(diethylamino)methyl>phosphonate (995-14-2)

Guidance literature:

With zinc(II) chloride; at 90 ℃; for 1.5h;

Reference yield: 95.0%

N-(chloromethyl)-N,N-diethylethanaminium chloride (26157-53-9) + phosphonic acid diethyl ester (762-04-9) → diethyl <(diethylamino)methyl>phosphonate (995-14-2)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 2h; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501961h

Reference yield: 92.0%

dichloromethane (75-09-2) + triethylamine (121-44-8) + phosphonic acid diethyl ester (762-04-9) → diethyl <(diethylamino)methyl>phosphonate (995-14-2)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 12h; Solvent; Schlenk technique; Inert atmosphere;

DOI:10.1021/jo501961h

upstream raw materials:

formaldehyd

diethylamine

phosphonic acid diethyl ester

bis-(diethylamino)methane