Ethyl 4-nitrophenyl ethylphosphonate

Base Information

• Chemical Name: Ethyl 4-nitrophenyl ethylphosphonate
• CAS No.: 546-71-4
• Deprecated CAS: 8053-54-1
• Molecular Formula: C10H14 N O5 P
• Molecular Weight: 259.199
• UNII: H39MRI1X2O
• DSSTox Substance ID: DTXSID5048843
• Nikkaji Number: J6.430K
• Wikipedia: Armine_(chemical)
• Wikidata: Q4069610
• Metabolomics Workbench ID: 67813
• ChEMBL ID: CHEMBL2106820
• Mol file: 546-71-4.mol

Synonyms:Armin;Armine;Ethyl-p-Nitrophenyl Ethylphosphonate

Chemical Property of Ethyl 4-nitrophenyl ethylphosphonate

Chemical Property:

• Vapor Pressure: 2.61E-05mmHg at 25°C
• Refractive Index: 1.515
• Boiling Point: 368.9°Cat760mmHg
• Flash Point: 176.9°C
• PSA: 91.16000
• Density: 1.262g/cm³
• LogP: 3.74630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 259.06095954
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC)OC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Ethyl 4-nitrophenyl ethylphosphonate

There total 4 articles about Ethyl 4-nitrophenyl ethylphosphonate 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-(4-nitrophenoxy)butanoic acid (28341-54-0) → paraoxon (546-71-4,8053-54-1)

Guidance literature:

With toluene;

DOI:10.1021/ja01511a025

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + ethyl ethylphosphonochloridate (5284-10-6) → paraoxon (546-71-4,8053-54-1)

Guidance literature:

With triethylamine; In diethyl ether;

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → paraoxon (546-71-4,8053-54-1)

Guidance literature:

With diethyl ether; triethylamine;

upstream raw materials:

4-nitro-phenol

4-(4-nitrophenoxy)butanoic acid

ethyl ethylphosphonochloridate

Downstream raw materials:

ethylphosphonic acid diethyl ester

Ethyl methyl ethylphosphonate

Tentraethylammonium 4-nitrophenoxide

ethyl ethylphosphonofluoridate

Refernces

• 1、 Prokop'eva,Mikhailov,Turovskaya,Karpichev,Burakov,Savelova,Kapitanov,Popov. "New sources of "active" halogen bis(dialkylamide)hydrogen dibromobromates, efficient reagents for destruction of ecotoxicants". experimental part. p. 637 - 646. Retrieved 2009/04/10.
• 2、 Savelova,Belousova,Simanenko,Popov. "Reactivity of methoxide ion in concentrated methanolic solutions of Et4NOCH3 and Et4NCl". . p. 1790 - 1796. Retrieved 2007/10/03.