Pretilachlor

Base Information

• Chemical Name: Pretilachlor
• CAS No.: 51218-49-6
• Deprecated CAS: 81690-06-4
• Molecular Formula: C17H26ClNO2
• Molecular Weight: 311.852
• Hs Code.: 29242990
• European Community (EC) Number: 610-630-3
• UNII: 617K7LM10D
• DSSTox Substance ID: DTXSID8058112
• Nikkaji Number: J1.899F
• Wikidata: Q3409268
• ChEMBL ID: CHEMBL1867271
• Mol file: 51218-49-6.mol

Synonyms:pretilachlor

Chemical Property of Pretilachlor

Chemical Property:

• Appearance/Colour: Colourless liquid
• Vapor Pressure: 5.2E-08mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: 1.528
• Boiling Point: 442 °C at 760 mmHg
• PKA: 1.41±0.50(Predicted)
• Flash Point: 221.1 °C
• PSA: 29.54000
• Density: 1.073 g/cm³
• LogP: 3.80980
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 311.1652068
• Heavy Atom Count: 21
• Complexity: 287

Purity/Quality:

99% ^*data from raw suppliers

Pretilachlor ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N
• Hazard Codes: Xi;N,N,Xi
• Statements: 38-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
• Uses: Pretilachlor is a chloroacetanalide herbicide. Pretilachlor is commonly used for weed control in wet seeded rice Herbicide for use in rice paddys.

Technology Process of Pretilachlor

There total 6 articles about Pretilachlor 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: 91.4%

chloroacetyl chloride (79-04-9) + N-(2-propoxyethyl)-2',6'-diethylaniline (61874-13-3) → 2-chloro-2'-6'-diethyl-N-(propoxyethyl)acetanilide (51218-49-6)

Guidance literature:

In cyclohexane; for 2h; Reflux; Green chemistry; Industrial scale;

Reference yield:

acetyl chloride (75-36-5) + N-(2-propoxyethyl)-2',6'-diethylaniline (61874-13-3) → 2-chloro-2'-6'-diethyl-N-(propoxyethyl)acetanilide (51218-49-6)

Guidance literature:

With sodium hydroxide; In toluene; at -5 - 50 ℃; for 1.5h; Temperature;

Reference yield:

2,6-diethylaniline (579-66-8) + 2-propoxyethanol (2807-30-9) + chloroacetyl chloride (79-04-9) → 2-chloro-2'-6'-diethyl-N-(propoxyethyl)acetanilide (51218-49-6)

Guidance literature:

2-propoxyethanol; With thionyl chloride; for 2h;

2,6-diethylaniline; Heating;

chloroacetyl chloride; With sodium hydroxide; In toluene; for 1h;

upstream raw materials:

chloroacetyl chloride

N-(2-propoxyethyl)-2',6'-diethylaniline

acetyl chloride

2,6-diethylaniline

Refernces

• 1、 -. "NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND". . . Retrieved 2017/08/26.
• 2、 -. "Method used for preparing pretilachlor". Paragraph 0015-0022. . Retrieved 2017/03/18.