Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester

Base Information

• Chemical Name: Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester
• CAS No.: 3270-86-8
• Molecular Formula: C10H14 N O5 P S
• Molecular Weight: 291.265
• UNII: E5274AVK5Q
• DSSTox Substance ID: DTXSID80186371
• Nikkaji Number: J53.828K
• Wikipedia: Parathion_S
• Wikidata: Q62053022
• Mol file: 3270-86-8.mol

Synonyms:Parathion S;S-Phenyl parathion;3270-86-8;Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester;O,O-Diethyl S-(4-nitrophenyl) phosphorothioate;BRN 1996969;E5274AVK5Q;O,O-Diethyl S-(4-nitrophenyl)thiophosphate;O,O-Diethyl-S-p-nitrofenylthiofosfat [Czech];O,O-Diaethyl-S-(p-nitrophenyl)-phosphat [German];O,O-Diethyl-S-p-nitrofenylthiofosfat;O,O-Diaethyl-S-(p-nitrophenyl)-phosphat;O,O-Diethyl-S-p-nitrofenylester kyseliny thiofosforecne [Czech];O,O-Diethyl-S-p-nitrofenylester kyseliny thiofosforecne;Phosphorothioic acid, O,O-diethyl S-(4-nitrophenyl) ester;Phosphorothioic acid, O,O-diethyl-S-(4-nitrophenyl) ester;PARATHIOL;1-diethoxyphosphorylsulfanyl-4-nitrobenzene;UNII-E5274AVK5Q;1-DIETHOXYPHOSPHORYLSULFANYL-4-NITRO-BENZENE;SCHEMBL2802945;DTXSID80186371;LS-108692;O,O'-diethyl S-(4-nitrophenyl)thiophosphate;O,O-diethyl S-p-nitrophenyl phosphorothioate;O,O-DIETHYL S-(P-NITROPHENYL) THIOPHOSPHATE;O,O-DIETHYL S-4-NITROPHENYL PHOSPHOROTHIOATE

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Chemical Property of Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester

Chemical Property:

• Boiling Point: 395.7°Cat760mmHg
• Flash Point: 193.1°C
• PSA: 134.92000
• Density: 1.32g/cm³
• LogP: 4.25440
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 291.03303072
• Heavy Atom Count: 18
• Complexity: 304

Purity/Quality:

Safty Information:

• Safety Statements: A deadly poison by ingestion, subcutaneous, and intraperitoneal routes. When heated to decompo"> x, POx, and SOx." target="_blank">A deadly poison by ingestion, subcutaneous, and intraperitoneal routes. When heated to decompo

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)SC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester

There total 12 articles about Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) 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: 87.0%

4-nitro-aniline (100-01-6,104810-17-5) + phosphonic acid diethyl ester (762-04-9) → O,O-diethyl (S)-(4-nitrophenyl)phosphorothioate (3270-86-8)

Guidance literature:

phosphonic acid diethyl ester; With sulfur; triethylamine; In dimethyl sulfoxide; at 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

4-nitro-aniline; With tert.-butylnitrite; methanesulfonic acid; In dimethyl sulfoxide; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c7cy00467b

Reference yield: 85.0%

di(p-nitrophenyl) disulfide (100-32-3) + triethyl phosphite (122-52-1) → O,O-diethyl (S)-(4-nitrophenyl)phosphorothioate (3270-86-8)

Guidance literature:

With air; In acetonitrile; at 20 ℃; for 9h; Green chemistry;

Reference yield: 85.0%

para-nitrobenzenethiol (1849-36-1) + triethyl phosphite (122-52-1) → O,O-diethyl (S)-(4-nitrophenyl)phosphorothioate (3270-86-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃;

DOI:10.1039/c7ra09057a

upstream raw materials:

diethyl chlorophosphate

para-nitrobenzenethiol

4-nitrobenzenesulfenyl chloride

phosphonic acid diethyl ester

Downstream raw materials:

O,O-diethyl S-methyl phosphorothioate

diethyl methyl phosphate

para-nitrobenzenethiol