Pethoxamid

Base Information

• Chemical Name: Pethoxamid
• CAS No.: 106700-29-2
• Molecular Formula: C16H22 Cl N O2
• Molecular Weight: 295.809
• Hs Code.: 2924299020
• European Community (EC) Number: 600-765-6
• UNII: 352ZYP854D
• DSSTox Substance ID: DTXSID4057928
• Nikkaji Number: J440.077A
• Wikidata: Q905571
• ChEMBL ID: CHEMBL2287834
• Mol file: 106700-29-2.mol

Synonyms:2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)acetamide;pethoxamid

Chemical Property of Pethoxamid

Chemical Property:

• Vapor Pressure: 1.87E-07mmHg at 25°C
• Boiling Point: 425.7°Cat760mmHg
• PKA: -2.36±0.70(Predicted)
• Flash Point: 211.3°C
• PSA: 29.54000
• Density: 1.09g/cm³
• LogP: 3.54140
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 295.1339066
• Heavy Atom Count: 20
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

Pethoxamid PESTANAL ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 4873772
• Hazard Codes: Xn,N
• Statements: 22-43-50/53
• Safety Statements: 24-37-46-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
• Uses: Pethoxamid is a preemergent herbicide.

Technology Process of Pethoxamid

There total 3 articles about Pethoxamid 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: 41.0%

N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl)-propylideneamine (139007-06-0) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)acetamide (106700-29-2)

Guidance literature:

In N,N-dimethyl-formamide; a) room temperature, b) 60 deg C, 2 h;

Reference yield:

phenyl isopropyl ketone (611-70-1) → 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)acetamide (106700-29-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / p-toluenesulfonic acid / toluene / Heating

2: 41 percent / dimethylformamide / a) room temperature, b) 60 deg C, 2 h

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; toluene;

Reference yield:

→ 2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl-1-propen-1-yl)acetamide (106700-29-2)

Guidance literature:

upstream raw materials:

N-(2-ethoxyethyl)-N-(2-methyl-1-phenyl)-propylideneamine

chloroacetyl chloride

phenyl isopropyl ketone

Refernces

• 1、 Okamoto, Hidenori,Kato, Shozo,Kobutani, Tadashi,Ogasawara, Masaru,Konnai, Makoto,Takematsu, Tetsuo. "Herbicidally Active N-(1-Arylethenyl)-2-chloroacetamides Bearing an Alkyloxyalkyl Moiety". . p. 2737 - 2744. Retrieved 2007/10/02.