Methyl paraoxon

Base Information

• Chemical Name: Methyl paraoxon
• CAS No.: 950-35-6
• Molecular Formula: C8H10 N O6 P
• Molecular Weight: 247.144
• Hs Code.: 2919900090
• European Community (EC) Number: 625-061-6
• UNII: UE1A2XL95H
• DSSTox Substance ID: DTXSID5037571
• Nikkaji Number: J7.185D
• Wikidata: Q27291041
• RXCUI: 1793922
• Metabolomics Workbench ID: 71514
• ChEMBL ID: CHEMBL26115
• Mol file: 950-35-6.mol

Synonyms:dimethyl 4-nitrophenyl phosphate;dimethyl p-nitrophenyl phosphate;MEE 600;methyl paraoxon;methylparaoxon

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Methyl paraoxon

Chemical Property:

• Vapor Pressure: 0.000829mmHg at 25°C
• Melting Point: 0-4 °C
• Refractive Index: n20/D 1.523
• Boiling Point: 315 °C at 760 mmHg
• Flash Point: 144.3 °C
• PSA: 100.39000
• Density: 1.383 g/cm3
• LogP: 2.89770
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 247.02457404
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

Safty Information:

• Hazard Codes: T+
• Statements: 28
• Safety Statements: 28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: Methylparaoxon is used in esterase detoxication of acetylcholinesterase inhibitor pesticides using human liver samples in vitro.

Technology Process of Methyl paraoxon

There total 18 articles about Methyl paraoxon 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: 96.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + methyl dichlorophosphoridate (677-24-7) → methyl paraoxon (950-35-6)

Guidance literature:

With triethylamine; In diethyl ether; at 25 ℃; for 1h;

DOI:10.1021/ja00335a001

Reference yield: 94.0%

parathion-methyl (298-00-0) → methyl paraoxon (950-35-6)

Guidance literature:

With perfluoro-cis-2-n-butyl-3-n-propyloxaziridine; In various solvent(s); at -30 ℃; for 6h;

DOI:10.1021/jo970572a

Reference yield: 63.0%

methanol (67-56-1) + 1-dichlorophosphoryloxy-4-nitro-benzene (777-52-6) → methyl paraoxon (950-35-6)

Guidance literature:

With triethylamine; In toluene; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1039/c8ob02475h

upstream raw materials:

methanol

1-dichlorophosphoryloxy-4-nitro-benzene

parathion-methyl

4-(4-nitrophenoxy)butanoic acid

Downstream raw materials:

phosphoric acid methyl ester 4-nitro-phenyl ester; tetramethylammonium salt

trimethyl phosphite

4-nitro-phenol

methylphosphate

Refernces

• 1、 Wilson, Craig,Cooper, Nicholas J.,Briggs, Michael E.,Cooper, Andrew I.,Adams, Dave J.. "Investigating the breakdown of the nerve agent simulant methyl paraoxon and chemical warfare agents GB and VX using nitrogen containing bases". supporting information. p. 9285 - 9291. Retrieved 2019/01/03.
• 2、 Segal-Rosenheimer, Michal,Dubowski, Yael. "Photolysis of methyl-parathion thin films: Products, kinetics and quantum yields under different atmospheric conditions". scheme or table. p. 193 - 202. Retrieved 2010/10/01.