Diethyl (benzylamino)methylphosphonate

Base Information

• Chemical Name: Diethyl (benzylamino)methylphosphonate
• CAS No.: 50917-70-9
• Molecular Formula: C12H20NO3P
• Molecular Weight: 257.269
• DSSTox Substance ID: DTXSID40448503
• Nikkaji Number: J458.115F
• Wikidata: Q82267520
• Mol file: 50917-70-9.mol

Synonyms:diethyl (benzylamino)methylphosphonate;50917-70-9;SCHEMBL9502485;DTXSID40448503;LEWADWGCENKZJX-UHFFFAOYSA-N;diethyl N-benzylaminomethylphosphonate;diethyl (N-benzyl)aminomethylphosphonate;diethyl [(benzylamino)methyl]phosphonate;Benzylaminomethylphosphonic acid diethyl ester

Chemical Property of Diethyl (benzylamino)methylphosphonate

Chemical Property:

• Boiling Point: 352.2±25.0 °C(Predicted)
• PSA: 57.37000
• Density: 1.099±0.06 g/cm3(Predicted)
• LogP: 3.39070
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 257.11808050
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CNCC1=CC=CC=C1)OCC

Technology Process of Diethyl (benzylamino)methylphosphonate

There total 6 articles about Diethyl (benzylamino)methylphosphonate 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: 90.0%

Diethyl phosphonate (762-04-9,123-22-8) + 1,3,5-Tribenzyl-1,3,5-triazacyclohexane (2547-66-2) → (benzylaminomethyl)phosphonic acid diethyl ester (50917-70-9)

Guidance literature:

at 100 ℃; for 3h; Inert atmosphere;

Reference yield: 88.0%

ethanol (64-17-5) + N-methylenebenzylamine (4393-14-0) → (benzylaminomethyl)phosphonic acid diethyl ester (50917-70-9)

Guidance literature:

With phosphorus trichloride; In dichloromethane; at 0 ℃; for 0.25h;

DOI:10.1055/s-1992-26083

Reference yield: 81.0%

benzaldehyde (100-52-7) + diethyl (azidomethyl)phosphonate (17982-55-7) → (benzylaminomethyl)phosphonic acid diethyl ester (50917-70-9)

Guidance literature:

diethyl (azidomethyl)phosphonate; With triphenylphosphine; In benzene; at 20 ℃; for 3h;

benzaldehyde; In benzene; at 20 ℃; for 20h;

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 72h;

upstream raw materials:

1,3,5-Tribenzyl-1,3,5-triazacyclohexane

phosphonic acid diethyl ester

Diethyl phosphonate

ethanol

Downstream raw materials:

2-[Benzyl-(diethoxy-phosphorylmethyl)-amino]-malonic acid dimethyl ester

N-Benzyl-N-diethoxyphosphrylmethylglycine tert-butyl ester

diethyl [(2-amino-N-benzyl-5-chlorobenzamido)methyl]phosphonate

2-(Benzyl-phosphonomethyl-amino)-malonic acid dimethyl ester