Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester

Base Information

• Chemical Name: Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester
• CAS No.: 39004-94-9
• Molecular Formula: C13H11N2O7PS
• Molecular Weight: 370.279
• Hs Code.: 2920190090
• DSSTox Substance ID: DTXSID30192280
• Nikkaji Number: J50.454H
• Mol file: 39004-94-9.mol

Synonyms:Bis-methylparathion [Czech];39004-94-9;Bis-methylparathion;Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester;BRN 2546720;O-Methyl-O,O-bis-(p-nitrofenyl)thiofosfat [Czech];O-Methyl-O,O-bis-(p-nitrofenyl)thiofosfat;O,O-Bis-p-nitrofenyl-O-methylester kyseliny thiofosforecne [Czech];O,O-Bis-p-nitrofenyl-O-methylester kyseliny thiofosforecne;C13H11N2O7PS;DTXSID30192280;C13-H11-N2-O7-P-S;LS-108412;Thiophosphoric acid O,O-bis(4-nitrophenyl)O-methyl ester;Phosphorothioic acid, O-methyl O,O-bis(4-nitrophenyl) ester

Chemical Property of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester

Chemical Property:

• Vapor Pressure: 1.45E-09mmHg at 25°C
• Boiling Point: 498°C at 760 mmHg
• Flash Point: 255°C
• PSA: 161.23000
• Density: 1.518g/cm³
• LogP: 5.52870
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 370.00245887
• Heavy Atom Count: 24
• Complexity: 454

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester

There total 2 articles about Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester 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) + sodium methylate (124-41-4) → O,O,O-tri(p-nitrophenyl) phosphorothioate (64131-85-7) + thiophosphoric acid O-methyl ester-O',O''-bis-(4-nitro-phenyl ester) (39004-94-9)

Guidance literature:

With methanol; trichlorothiophosphine; acetone;

DOI:10.1021/ja01168a532

Reference yield:

methanol (67-56-1) + O,O,O-tri(p-nitrophenyl) phosphorothioate (64131-85-7) → thiophosphoric acid O-methyl ester-O',O''-bis-(4-nitro-phenyl ester) (39004-94-9)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; at 0 - 25 ℃;

DOI:10.1021/ja017840d

Reference yield:

thiophosphoric acid O-methyl ester-O',O''-bis-(4-nitro-phenyl ester) (39004-94-9) → thiophosphoric acid O,O'-bis-(4-nitro-phenyl ester); silver-salt (116035-17-7)

Guidance literature:

With ethanol; silver nitrate; acetonitrile;

upstream raw materials:

4-(4-nitrophenoxy)butanoic acid

sodium methylate

methanol

O,O,O-tri(p-nitrophenyl) phosphorothioate

Downstream raw materials:

thiophosphoric acid O,O'-bis-(4-nitro-phenyl ester); trimethyl sulfonium-salt

thiophosphoric acid O,O'-bis-(4-nitro-phenyl ester); silver-salt

thiophosphoric acid O,O'-bis-(4-nitro-phenyl ester); S-methyl-thiuronium-salt

thiophosphoric acid O,O'-bis-(4-nitro-phenyl ester); tetramethylammonium salt

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