Halauxifen-methyl

Base Information

• Chemical Name: Halauxifen-methyl
• CAS No.: 943831-98-9
• Molecular Formula: C₁₄H₁₁Cl₂FN₂O₃
• Molecular Weight: 345.157
• European Community (EC) Number: 695-056-1
• UNII: 81N578K123
• DSSTox Substance ID: DTXSID50241446
• Nikkaji Number: J3.337.973K
• Wikidata: Q27269251
• Mol file: 943831-98-9.mol

Synonyms:Arylex active

Chemical Property of Halauxifen-methyl

Chemical Property:

• Boiling Point: 513.2±50.0 °C(Predicted)
• Density: 1.436±0.06 g/cm3(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 344.0130758
• Heavy Atom Count: 22
• Complexity: 404

Purity/Quality:

98%,99%, ^*data from raw suppliers

Arylex ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1F)C2=NC(=C(C(=C2)N)Cl)C(=O)OC)Cl

Technology Process of Halauxifen-methyl

There total 3 articles about Halauxifen-methyl 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:

methyl 4-(acetylamino)-3,6-dichloropyridine-2-carboxylate → halauxifen methyl ester (943831-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium fluoride; bis-triphenylphosphine-palladium(II) chloride / water; acetonitrile / 0.33 h / 110 °C / Microwave irradiation; Sealed tube

2: acetyl chloride / methanol / 6 h

With bis-triphenylphosphine-palladium(II) chloride; potassium fluoride; acetyl chloride; In methanol; water; acetonitrile;

DOI:10.1016/j.bmc.2015.08.011

Reference yield:

methyl 4-(acetylamino)-3,6-dichloropyridine-2-carboxylate + 1,3-propanediyl 4-chloro-2-fluoro-3-methoxyphenylboronate → halauxifen methyl ester (943831-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triphenylphosphine; tetrabutylammomium bromide / toluene / Inert atmosphere

1.2: 2 h / 65 °C

2.1: acetyl chloride / methanol / 7 h / 50 °C / Inert atmosphere

With tetrabutylammomium bromide; acetyl chloride; triphenylphosphine; In methanol; toluene;

Reference yield:

→ halauxifen methyl ester (943831-98-9)

Guidance literature: