Tebufenpyrad

Base Information

• Chemical Name: Tebufenpyrad
• CAS No.: 119168-77-3
• Molecular Formula: C18H24ClN3O
• Molecular Weight: 333.861
• Hs Code.: 29331990
• European Community (EC) Number: 601-585-0
• UNII: IRU3P7ZB3F
• DSSTox Substance ID: DTXSID0034223
• Nikkaji Number: J364.797H
• Wikipedia: Tebufenpyrad
• Wikidata: Q285594
• Metabolomics Workbench ID: 53467
• ChEMBL ID: CHEMBL1897070
• Mol file: 119168-77-3.mol

Synonyms:4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide;MK239;Tebufenpyrad

Chemical Property of Tebufenpyrad

Chemical Property:

• Vapor Pressure: 5.99E-09mmHg at 25°C
• Melting Point: 61-62oC
• Refractive Index: 1.565
• Boiling Point: 468.4 °C at 760 mmHg
• PKA: 13.19±0.46(Predicted)
• Flash Point: 237.1 °C
• PSA: 46.92000
• Density: 1.13 g/cm³
• LogP: 4.25430
• Storage Temp.: 0-6°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 333.1607901
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

95%TC 20%WP ^*data from raw suppliers

Tebufenpyrad ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Other Insecticides
• Canonical SMILES: CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
• Uses: Tebufenpyrad is a pyrazole acaricide and insecticide commonly used in commercial greenhouses. Acaricide.

Technology Process of Tebufenpyrad

There total 4 articles about Tebufenpyrad 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: 95.8%

1-methyl-3-ethyl-4-chloro-1H-pyrazol-5-ylformylic acid chloride (129560-00-5) + 4-(1,1-dimethylethyl)-benzenemethanamine (39895-55-1) → tebufenpyrad (119168-77-3)

Guidance literature:

In toluene; at 50 ℃; for 0.138889h; Time; Temperature;

Reference yield: 75.0%

4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester + 4-(1,1-dimethylethyl)-benzenemethanamine (39895-55-1) → tebufenpyrad (119168-77-3)

Guidance literature:

4-(1,1-dimethylethyl)-benzenemethanamine; With sodium hydride; In tetrahydrofuran; Inert atmosphere;

4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester; In tetrahydrofuran; at 25 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ol901208d

Reference yield:

ethyl 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide + 4-(1,1-dimethylethyl)-benzenemethanamine (39895-55-1) → tebufenpyrad (119168-77-3)

Guidance literature:

upstream raw materials:

4-(1,1-dimethylethyl)-benzenemethanamine

1-methyl-3-ethyl-4-chloro-1H-pyrazol-5-ylformylic acid chloride

Refernces

• 1、 -. "ACTIVE COMPOUND COMBINATIONS HAVING INSECTICIDAL AND ACARICIDAL PROPERTIES". . . Retrieved 2010/08/18.
• 2、 -. "Stabilized AGchemical concentrate and use thereof". . . Retrieved 2008/06/13.