Bis[(4-nitrophenyl)methoxy]phosphanolate

Base Information

• Chemical Name: Bis[(4-nitrophenyl)methoxy]phosphanolate
• CAS No.: 65463-54-9
• Molecular Formula: C₁₄H₁₃N₂O₇P
• Molecular Weight: 352.24
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID50598664
• Wikidata: Q82494440
• Mol file: 65463-54-9.mol

Synonyms:65463-54-9;Bis[(4-nitrophenyl)methoxy]phosphanolate;SCHEMBL1618443;DTXSID50598664

Chemical Property of Bis[(4-nitrophenyl)methoxy]phosphanolate

Chemical Property:

• Vapor Pressure: 7.64E-12mmHg at 25°C
• Boiling Point: 556.3°C at 760 mmHg
• Flash Point: 290.2°C
• PSA: 146.75000
• LogP: 4.94020
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 351.03821272
• Heavy Atom Count: 24
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COP([O-])OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Bis[(4-nitrophenyl)methoxy]phosphanolate

There total 2 articles about Bis[(4-nitrophenyl)methoxy]phosphanolate 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:

4-nitrobenzyl chloride (619-73-8) → di(p-nitrobenzyl) phosphite (65463-54-9)

Guidance literature:

With N,N-dimethyl-aniline; phosphorus trichloride; benzene;

Reference yield:

di(p-nitrobenzyl) methoxycarbonylphosphonate (143784-71-8) → di(p-nitrobenzyl) phosphite (65463-54-9) + potassium p-nitrobenzyl phosphite (143796-48-9) + potassium p-nitrobenzyl methoxycarbonylphosphonate + potassium di(p-nitrobenzyl) phosphonate (143784-82-1) + potassium p-nitrobenzyl p-nitrobenzyloxycarbonylphosphonate (143784-81-0)

Guidance literature:

With potassium phosphate buffer; In [D₃]acetonitrile; at 36.4 ℃; for 0.233333h; Rate constant; Mechanism; other di(p-substituted-benzyl) methoxycarbonylphosphonates;

Reference yield:

di(p-nitrobenzyl) phosphite (65463-54-9) → chlorophosphoric acid bis-(4-nitro-benzyl ester) (57188-46-2)

Guidance literature:

With sulfuryl dichloride; chloroform;

upstream raw materials:

4-nitrobenzyl chloride

di(p-nitrobenzyl) methoxycarbonylphosphonate

Downstream raw materials:

chlorophosphoric acid bis-(4-nitro-benzyl ester)

{[Hydroxy-(4-nitro-benzyloxy)-phosphorylmethyl]-amino}-acetic acid ethyl ester