Ethyl 2-(4-fluorophenyl)oxazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 2-(4-fluorophenyl)oxazole-4-carboxylate
• CAS No.: 132089-42-0
• Molecular Formula: C12H10 F N O3
• Molecular Weight: 235.215
• DSSTox Substance ID: DTXSID60569507
• Wikidata: Q82456668
• Mol file: 132089-42-0.mol

Synonyms:132089-42-0;Ethyl 2-(4-fluorophenyl)oxazole-4-carboxylate;ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate;2-(4-FLUORO-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER;Ethyl2-(4-fluorophenyl)oxazole-4-carboxylate;SCHEMBL2817924;DTXSID60569507;UAXZGKAXBLXDTI-UHFFFAOYSA-N;AB27353;ethyl 2-(4-fluorophenyl)oxazol-4-carboxylate;A806369

Chemical Property of Ethyl 2-(4-fluorophenyl)oxazole-4-carboxylate

Chemical Property:

• Melting Point: 102-104 °C
• Boiling Point: 335.1±48.0 °C(Predicted)
• PKA: -2.05±0.10(Predicted)
• PSA: 52.33000
• Density: 1.242±0.06 g/cm3(Predicted)
• LogP: 2.65740
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 235.06447134
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=COC(=N1)C2=CC=C(C=C2)F

Technology Process of Ethyl 2-(4-fluorophenyl)oxazole-4-carboxylate

There total 5 articles about Ethyl 2-(4-fluorophenyl)oxazole-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: 73.0%

4-fluoroboronic acid (1765-93-1) + ethyl 2-chloro-1,3-oxazole-4-carboxylate (460081-18-9) → ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate (132089-42-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In water; toluene; at 90 ℃; for 1h; Inert atmosphere;

Reference yield: 66.0%

oxazole-4-carboxylic acid ethyl ester (23012-14-8) + 1-Bromo-4-fluorobenzene (460-00-4) → ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate (132089-42-0)

Guidance literature:

With C₂H₃O₂^(1-)*C₂₀H₃₀OP^(1-)*C₂₀H₃₁OP*Pd⁽²⁺⁾; caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 110 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ol200986x

Reference yield:

4-fluoroboronic acid (1765-93-1) + 2-bromo-4-(ethoxycarbonyl)-1,3-oxazol-5-ylium (460081-20-3) → ethyl 2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate (132089-42-0)

Guidance literature:

With potassium phosphate; (2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1 ‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl)]palladium(II) methanesulfonate; In 1,4-dioxane; water; at 20 - 100 ℃; for 2h;

upstream raw materials:

oxazole-4-carboxylic acid ethyl ester

1-Bromo-4-fluorobenzene

ethyl Bromopyruvate

p-fluorobenzamide

Downstream raw materials:

ethyl 2-(4-fluorophenyl)-5-phenyloxazole-4-carboxylate

2-(4-fluorophenyl)oxazolo[4,5-c]quinolin-4(5H)-one

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