Benzyl amino(diethoxyphosphoryl)acetate

Base Information

• Chemical Name: Benzyl amino(diethoxyphosphoryl)acetate
• CAS No.: 52039-22-2
• Molecular Formula: C13H20NO5P
• Molecular Weight: 301.279
• DSSTox Substance ID: DTXSID90564429
• Mol file: 52039-22-2.mol

Synonyms:52039-22-2;Benzyl amino(diethoxyphosphoryl)acetate;SCHEMBL7282986;DTXSID90564429

Chemical Property of Benzyl amino(diethoxyphosphoryl)acetate

Chemical Property:

• Boiling Point: 405.9±40.0 °C(Predicted)
• PSA: 97.66000
• Density: 1.209±0.06 g/cm3(Predicted)
• LogP: 2.98100
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 301.10790974
• Heavy Atom Count: 20
• Complexity: 334

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C(C(=O)OCC1=CC=CC=C1)N)OCC

Technology Process of Benzyl amino(diethoxyphosphoryl)acetate

There total 8 articles about Benzyl amino(diethoxyphosphoryl)acetate 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: 85.0%

benzyl 2-(tert-butyloxycarbonylamino)-2-(diethyloxyphosphoryl)acetate (142980-15-2) → benzyl α-amino(diethylphosphono)acetate (52039-22-2)

Guidance literature:

With hydrogenchloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jo00046a030

Reference yield:

N-(benzyloxycarbonyl)aminomethylphosphonic acid (55601-40-6) + orthoformic acid triethyl ester (122-51-0) → benzyl α-amino(diethylphosphono)acetate (52039-22-2) + phosphonic acid diethyl ester (762-04-9)

Guidance literature:

Reference yield:

tert-butoxycarbonylamino-acetic acid benzyl ester (54244-69-8) → benzyl α-amino(diethylphosphono)acetate (52039-22-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / N-bromosuccinimide / CCl₄ / 15 °C / Irradiation

2: 61 percent / CH₂Cl₂ / Ambient temperature

3: 85 percent / HCl (gas) / CH₂Cl₂ / Ambient temperature

With hydrogenchloride; N-Bromosuccinimide; In tetrachloromethane; dichloromethane;

DOI:10.1021/jo00046a030

upstream raw materials:

(Diethoxy-phosphoryl)-{[1-phenyl-meth-(E)-ylidene]-amino}-acetic acid benzyl ester

benzyl diethylphosphonoacetate

benzyl 2-(tert-butyloxycarbonylamino)-2-(diethyloxyphosphoryl)acetate

tert-butoxycarbonylamino-acetic acid benzyl ester

Downstream raw materials:

[3-(2-Acetoxymethyl-[1,3]dioxolan-2-yl)-prop-(E)-ylideneamino]-(diethoxy-phosphoryl)-acetic acid benzyl ester

[2-(tert-Butyl-dimethyl-silanyloxy)-4-methyl-pent-4-en-(Z)-ylideneamino]-(diethoxy-phosphoryl)-acetic acid benzyl ester

((2aR,7S,7bS)-4a-Acetoxymethyl-1-oxo-7-phenyl-octahydro-5-oxa-2,7a-diaza-cyclobuta[e]inden-2-yl)-(diethoxy-phosphoryl)-acetic acid benzyl ester

2-[(2R,3S)-2-[2-(2-Acetoxymethyl-[1,3]dioxolan-2-yl)-ethyl]-3-((S)-2,2-dimethyl-4-phenyl-oxazolidin-3-yl)-4-oxo-azetidin-1-yl]-acrylic acid benzyl ester

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