Omethoate

Base Information

• Chemical Name: Omethoate
• CAS No.: 1113-02-6
• Molecular Formula: C5H12NO4PS
• Molecular Weight: 213.194
• Hs Code.: 29309090
• European Community (EC) Number: 214-197-8
• UNII: 28U28EWE79
• DSSTox Substance ID: DTXSID4037580
• Nikkaji Number: J3.362F
• Wikipedia: Omethoate
• Wikidata: Q2204769
• NCI Thesaurus Code: C163682
• Metabolomics Workbench ID: 55986
• ChEMBL ID: CHEMBL2270068
• Mol file: 1113-02-6.mol

Synonyms:dimethoxon;O-methoate;omethoate

Chemical Property of Omethoate

Chemical Property:

• Appearance/Colour: Colorless liquid. Mercaptan-like odor.
• Vapor Pressure: 3.3×10-3Pa (20 °C)
• Melting Point: -28oC
• Refractive Index: 1.474
• Boiling Point: 135 °C
• PKA: 14.40±0.46(Predicted)
• Flash Point: 100°C
• PSA: 99.74000
• Density: 1.27 g/cm³
• LogP: 1.25740
• Storage Temp.: 0-6°C
• Water Solubility.: Miscible
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 213.02246604
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

Omethoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,N
• Hazard Codes: T+;N,N,T+,T
• Statements: 21-25-50
• Safety Statements: 1/2-23-36/37-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: CNC(=O)CSP(=O)(OC)OC
• Uses: Insecticidal, acaricidal, and fungicidal combinations of carboxamides and other pesticides. Omethoate is a systemic insecticide used for the control of (mostly) sucking insects and mites in a wide variety of crops.

Technology Process of Omethoate

There total 7 articles about Omethoate 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: 96.1%

chloroacetylmethylamide (96-30-0) + Natriumsalz des Thiophosphorsaeure-O,O-dimethylesters (23754-87-2) → omethoate (1113-02-6)

Guidance literature:

With potassium iodide; In methanol; at 65 ℃; for 10h;

Reference yield: 63.0%

mercapto-acetic acid methylamide (20938-74-3) + Dimethyl phosphite (868-85-9) → omethoate (1113-02-6)

Guidance literature:

With oxygen; caesium carbonate; In acetonitrile; at 60 ℃; for 12h; under 760.051 Torr;

Reference yield:

O,O-Dimethyl-S-(methoxycarbonylmethyl)-thiophosphorsaeure (57212-78-9) + methylamine (74-89-5) → omethoate (1113-02-6)

Guidance literature:

In water; at -12 - -10 ℃; for 0.5h; Temperature; Molecular sieve; Large scale;

upstream raw materials:

chloroacetylmethylamide

Dimethoate

mercapto-acetic acid methylamide

Dimethyl phosphite

Downstream raw materials:

trimethyl phosphite

O,O,S-trimethyl phosphorothioate

mercapto-acetic acid methylamide

Dimethyl phosphite

Refernces

• 1、 -. "Method for preparing O, O-dimethyl-S-methylcarbamoylmethyl phosphorodithioate". Paragraph 0114; 0119; 0120. . Retrieved 2019/04/30.
• 2、 -. "A thiophosphate synthetic method of compound and the method in a plurality of pharmaceutical application in the synthesis of (by machine translation)". Paragraph 0251; 0252; 0253; 0254. . Retrieved 2017/07/20.