3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
• CAS No.: 640291-92-5
• Molecular Formula: C12H10FNO3
• Molecular Weight: 235.215
• Mol file: 640291-92-5.mol

Synonyms:3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER;ART-CHEM-BB B037582;VITAS-BB TBB012236;5-(4-Fluoro-3-methoxy-phenyl)-isoxazole-3-carboxylic acid ethyl ester;ethyl 5-(4-fluorophenyl)-1,2-oxazole-3-carboxylate;Ethyl 3-(4-fluorophenyl)-5-isoxazolecarboxylate

Chemical Property of 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 7.08E-06mmHg at 25°C
• Melting Point: 98-99 °C(Solv: ethanol (64-17-5))
• Boiling Point: 376.8°C at 760 mmHg
• PKA: -6.48±0.38(Predicted)
• Flash Point: 181.7°C
• PSA: 52.33000
• Density: 1.242g/cm³
• LogP: 2.65740

Purity/Quality:

HPLC>98% ^*data from raw suppliers

Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

There total 10 articles about 3-(4-FLUORO-PHENYL)-ISOXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 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: 81.0%

2-(4-fluorophenyl)cyclopropanecarboxylic acid ethyl ester (879324-63-7) → ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate (640291-92-5)

Guidance literature:

With trifluoroacetic acid; sodium nitrite; at 20 ℃;

DOI:10.1007/s10593-009-0315-6

Reference yield: 75.0%

nitroacetic acid ethyl ester (626-35-7) + (E)-1-fluoro-4-(2-bromovinyl)benzene (115665-67-3,115665-76-4) → ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate (640291-92-5)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; copper(II) oxide; zirconium(IV) oxide; for 1h; Milling;

DOI:10.1002/adsc.202100730

Reference yield: 68.0%

1-ethynyl-4-fluorobenzene (766-98-3) + ethyl 2-chloro-2-(hydroxyimino)acetate (14337-43-0) → ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate (640291-92-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.bmcl.2015.09.072

upstream raw materials:

ethyl 4-(4-fluorophenyl)-2,4-dioxobutanoate

1-(4-fluorophenyl)ethanone

ethyl 5-(4-fluorophenyl)-4,5-dihydroisoxazole-3-carboxylate

2-(4-fluorophenyl)cyclopropanecarboxylic acid ethyl ester

Downstream raw materials:

C₁₀H₇ClFNO