Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}methyl)phosphonate

Base Information

• Chemical Name: Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}methyl)phosphonate
• CAS No.: 61937-73-3
• Molecular Formula: C11H16NO5P
• Molecular Weight: 273.226
• DSSTox Substance ID: DTXSID50569910
• Nikkaji Number: J1.463.391J
• Wikidata: Q82457171
• Mol file: 61937-73-3.mol

Synonyms:61937-73-3;DTXSID50569910;Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}methyl)phosphonate

Chemical Property of Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}methyl)phosphonate

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 273.07660961
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOP(=O)(CNC(=O)OCC1=CC=CC=C1)O

Technology Process of Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}methyl)phosphonate

There total 5 articles about Ethyl hydrogen ({[(benzyloxy)carbonyl]amino}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: 93.5%

diethyl N-(benzyloxycarbonyl) amidomethyl phosphonate (70908-61-1) → ethyl N-(benzyloxycarbonyl) amidomethyl phosphonate (61937-73-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 20 ℃;

DOI:10.1006/bioo.2000.1192

Reference yield:

ammonium salt of ethyl N-(benzyloxycarbonyl)amidomethylphosphonyl L-proline → ethyl N-(benzyloxycarbonyl) amidomethyl phosphonate (61937-73-3) + L-proline (147-85-3,25191-13-3,37159-97-0,4305-67-3,4607-28-7)

Guidance literature:

With class C Enterobacter cloacae P99 β-lactamase; water; at 30 ℃; pH=7.0; Further Variations:; pH-values; Reagents; Kinetics;

DOI:10.1006/bioo.2000.1192

Reference yield:

benzyl chloroformate (501-53-1,94274-21-2) → ethyl N-(benzyloxycarbonyl) amidomethyl phosphonate (61937-73-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 93.5 percent / aq. NaOH / dioxane / 20 °C

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1006/bioo.2000.1192

upstream raw materials:

ethanol

N-(benzyloxycarbonyl)aminomethylphosphonic acid

diethyl N-(benzyloxycarbonyl) amidomethyl phosphonate

C₂₂H₃₀N₂O₉P₂

Downstream raw materials:

(Benzyloxycarbonylamino-methyl)-phosphonic acid 4-amino-butyl ester ethyl ester