Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

Base Information

• Chemical Name: Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate
• CAS No.: 1097776-52-7
• Molecular Formula: C₁₅H₁₄F₃NO₄
• Molecular Weight: 329.276
• DSSTox Substance ID: DTXSID60695153
• Wikidata: Q82624221
• Mol file: 1097776-52-7.mol

Synonyms:1097776-52-7;METHYL 5-ISOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)ISOXAZOLE-4-CARBOXYLATE;SCHEMBL1179604;DTXSID60695153;methyl 5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolecarboxylate;Methyl 5-(propan-2-yl)-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxylate;METHYL5-ISOPROPYL-3-(2-(TRIFLUOROMETHOXY)PHENYL)ISOXAZOLE-4-CARBOXYLATE

Chemical Property of Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 329.08749241
• Heavy Atom Count: 23
• Complexity: 416

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C(=NO1)C2=CC=CC=C2OC(F)(F)F)C(=O)OC

Technology Process of Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate

There total 1 articles about Methyl 5-isopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazole-4-carboxylate 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: 67.0%

Methyl 4-methyl-3-oxopentanoate (42558-54-3) + (Z)-N-hydroxy-2-(trifluoromethoxy)benzimidoyl chloride (1383740-01-9) → methyl 5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolecarboxylate (1097776-52-7)

Guidance literature:

Methyl 4-methyl-3-oxopentanoate; With sodium hydroxide; In methanol; at 0 ℃;

(Z)-N-hydroxy-2-(trifluoromethoxy)benzimidoyl chloride; In tetrahydrofuran; methanol; at 20 ℃;

Reference yield: 38.0%

methyl 5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolecarboxylate (1097776-52-7) → (5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolyl)methanol (1097776-54-9)

Guidance literature:

methyl 5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolecarboxylate; With diisobutylaluminium hydride; In tetrahydrofuran; toluene; at 0 - 20 ℃;

With Rochelle's salt; In tetrahydrofuran; toluene;

upstream raw materials:

Methyl 4-methyl-3-oxopentanoate

(Z)-N-hydroxy-2-(trifluoromethoxy)benzimidoyl chloride

Downstream raw materials:

(5-(1-methylethyl)-3-{2-[(trifluoromethyl)oxy]phenyl}-4-isoxazolyl)methanol