Phosphoric acid, diethyl p-(methylthio)phenyl ester

Base Information

• Chemical Name: Phosphoric acid, diethyl p-(methylthio)phenyl ester
• CAS No.: 3070-13-1
• Molecular Formula: C11H17 O4 P S
• Molecular Weight: 276.29
• Hs Code.: 2930909090
• NSC Number: 132955
• DSSTox Substance ID: DTXSID20184730
• Nikkaji Number: J50.388F
• Wikidata: Q83055659
• Mol file: 3070-13-1.mol

Synonyms:3070-13-1;Phosphoric acid, diethyl p-(methylthio)phenyl ester;diethyl (4-methylsulfanylphenyl) phosphate;O,O-Diethyl O-(p-methylthio)phenyl phosphate;Fensulfothion-oxon-sulfide;NSC 132955;BRN 1983915;Fensulfothion Oxon Sulfide;C11H17O4PS;WLN: 2OPO&O2&OR DS1;DTXSID20184730;C11-H17-O4-P-S;NSC132955;NSC-132955;Diethyl(4-methylsulfanylphenyl)phosphate;LS-107725;Phosphoric acid diethyl 4-(methylthio)phenyl ester

Chemical Property of Phosphoric acid, diethyl p-(methylthio)phenyl ester

Chemical Property:

• Vapor Pressure: 0.00027mmHg at 25°C
• Boiling Point: 333.1°C at 760 mmHg
• Flash Point: 155.3°C
• PSA: 79.87000
• Density: 1.19g/cm³
• LogP: 3.96840
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 276.05851719
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

97% ^*data from raw suppliers

FensulfothionOxonSulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(OCC)OC1=CC=C(C=C1)SC
• Uses: Fensulfothion Oxon Sulfide is a metabolite of the insecticide fensulfonthion (F265490), an inhibitor of cholinesterase activity.

Technology Process of Phosphoric acid, diethyl p-(methylthio)phenyl ester

There total 2 articles about Phosphoric acid, diethyl p-(methylthio)phenyl 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-hydroxythioanisole (1073-72-9) + diethyl chlorophosphate (814-49-3) → phosphoric acid diethyl ester-(4-methylsulfanyl-phenyl ester) (3070-13-1)

Guidance literature:

With triethylamine; In diethyl ether;

Reference yield:

diethyl chlorophosphate (814-49-3) → phosphoric acid diethyl ester-(4-methylsulfanyl-phenyl ester) (3070-13-1)

Guidance literature:

With benzene;

DOI:10.1021/jf60069a001

Reference yield:

phosphoric acid diethyl ester-(4-methylsulfanyl-phenyl ester) (3070-13-1) → 4-diethoxyphosphoryloxy-benzoic acid (16498-00-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 20 °C

2: 2.9-dimethyl-1,10-phenanthroline; neocuproine; zinc / dimethyl sulfoxide / 16 h / 20 °C / 760.05 Torr

With 2.9-dimethyl-1,10-phenanthroline; neocuproine; zinc; In dichloromethane; dimethyl sulfoxide;

DOI:10.1021/acscatal.9b05141

upstream raw materials:

4-hydroxythioanisole

diethyl chlorophosphate

Downstream raw materials:

4-diethoxyphosphoryloxy-benzoic acid