Propisochlor

Base Information

• Chemical Name: Propisochlor
• CAS No.: 86763-47-5
• Molecular Formula: C15H22ClNO2
• Molecular Weight: 283.798
• European Community (EC) Number: 617-914-6
• UNII: 88248R3YQC
• DSSTox Substance ID: DTXSID2058205
• Nikkaji Number: J1.554.193H
• Wikidata: Q22808795
• Mol file: 86763-47-5.mol

Synonyms:2-chloro-N-(2-ethyl-6-methylphenyl)-N-((1-methylethoxy)methyl)acetamide;propisochlor

Chemical Property of Propisochlor

Chemical Property:

• Appearance/Colour: white-off solid or colorless liquid
• Vapor Pressure: 1.38E-06mmHg at 25°C
• Melting Point: 21.6oC
• Refractive Index: 1.533
• Boiling Point: 399.3 °C at 760 mmHg
• PKA: 1.30±0.50(Predicted)
• Flash Point: 195.3 °C
• PSA: 29.54000
• Density: 1.1 g/cm³
• LogP: 3.51170
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, Ethyl Acetate (Slightly)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 283.1339066
• Heavy Atom Count: 19
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Propisochlor ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC(=C1N(COC(C)C)C(=O)CCl)C
• Uses: Propisochlor is an herbicide that is absorbed through the shoots of germinating plants.

Technology Process of Propisochlor

There total 2 articles about Propisochlor 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: 98.6%

6-ethyl-o-toluidine (24549-06-2) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]acetamide (86763-47-5)

Guidance literature:

6-ethyl-o-toluidine; With Methoxyacetone; toluene-4-sulfonic acid; In toluene; at 88 ℃; for 10h;

With hydrogen; at 50 ℃; for 4.5h; under 56255.6 Torr; Autoclave; Inert atmosphere;

chloroacetyl chloride; With sodium carbonate; In water; toluene; at 25 ℃; for 0.5h; Reagent/catalyst;

Reference yield: 95.0%

2-methyl-6-ethyl-N-(isopropoxymethyl)aniline + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]acetamide (86763-47-5)

Guidance literature:

for 10h; Reflux; Green chemistry; Industrial scale;

Reference yield: 90.7%

2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(1-methylethoxy)methyl]acetamide (86763-47-5) + sodium thiomethoxide (5188-07-8) → C16H25NO2S

Guidance literature:

In acetonitrile; at 25 - 80 ℃; for 2.5h; Temperature; Solvent;

upstream raw materials:

6-ethyl-o-toluidine

chloroacetyl chloride

Refernces

• 1、 -. "Synthetic method of s-metolachlor". Paragraph 0017-0030. . Retrieved 2019/01/14.