Carfentrazone-ethyl

Base Information

• Chemical Name: Carfentrazone-ethyl
• CAS No.: 128639-02-1
• Molecular Formula: C15H14Cl2F3N3O3
• Molecular Weight: 412.196
• Hs Code.: 29339900
• European Community (EC) Number: 603-291-8
• UNII: 45Y208AO5K
• DSSTox Substance ID: DTXSID4032532
• Nikkaji Number: J653.643C
• Wikidata: Q22807209
• Metabolomics Workbench ID: 67962
• ChEMBL ID: CHEMBL2145069
• Mol file: 128639-02-1.mol

Synonyms:((14)C)carfentrazone-ethyl;carfentrazone-ethyl;ethyl alpha-2-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)-4-fluorobenzenepropanoate

Chemical Property of Carfentrazone-ethyl

Chemical Property:

• Vapor Pressure: 2.05E-08mmHg at 25°C
• Melting Point: -22.1°
• Refractive Index: 1.574
• Boiling Point: 453.54 °C at 760 mmHg
• PKA: -2.26±0.20(Predicted)
• Flash Point: 228.093 °C
• PSA: 66.12000
• Density: 1.527 g/cm³
• LogP: 3.24300
• Storage Temp.: 0-6°C
• Water Solubility.: 21.98mg/L(temperature not stated)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 411.0364312
• Heavy Atom Count: 26
• Complexity: 582

Purity/Quality:

95% ^*data from raw suppliers

CarfentrazoneEthylEster ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Protox-Inhibiting
• Canonical SMILES: CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
• Uses: Carfentrazone-ethyl is a triazolone herbicides and is a derivative of Carfentrazone. Carfentrazone-ethyl was found to be suitable against complex weed flora in wheat. Post-emergent herbicide.

Technology Process of Carfentrazone-ethyl

There total 14 articles about Carfentrazone-ethyl 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: 98.1%

ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazolidin-1-yl]-4-fluorophenyl}propanoate → carfentrazone-ethyl (128639-02-1)

Guidance literature:

With oxygen; pyrographite; In water; tert-butyl alcohol; at 100 ℃; for 2.5h; under 15001.5 Torr;

Reference yield: 96.9%

ethanol (64-17-5) + 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1,2,4-triazole-1-yl]-4-fluorophenyl}propanamide → carfentrazone-ethyl (128639-02-1)

Guidance literature:

With sulfuric acid; for 8h; Time; Reflux;

Reference yield: 96.0%

→ carfentrazone-ethyl (128639-02-1)

Guidance literature:

upstream raw materials:

ethyl acrylate

ethanol

carfentrazone

4-difluoromethyl-4,5-dihydro-1-(4-chloro-2-fluorophenyl)-3-methyl-5-oxo-1H-1,2,4-triazole

Downstream raw materials:

carfentrazone

Refernces

• 1、 -. "A aryltriazolinones preparation method". Paragraph 0042; 0043. . Retrieved 2017/08/25.
• 2、 Fan, Jianjian,Yu, Juan,Fu, Xinghua,Liu, Rui,He, Guangke,Zhu, Hongjun. "A new and efficient synthetic method for the herbicide carfentrazone-ethyl based on the Heck reaction". . p. 5797 - 5808. Retrieved 2015/07/08.