Ethyl 3-ethylisoxazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 3-ethylisoxazole-5-carboxylate
• CAS No.: 90087-37-9
• Molecular Formula: C₈H₁₁NO₃
• Molecular Weight: 169.18
• DSSTox Substance ID: DTXSID70558189
• Mol file: 90087-37-9.mol

Synonyms:ethyl 3-ethylisoxazole-5-carboxylate;90087-37-9;ethyl 3-ethyl-1,2-oxazole-5-carboxylate;ethyl3-ethylisoxazole-5-carboxylate;MFCD12026941;SCHEMBL14770789;DTXSID70558189;AMY24014;AKOS002160549;VS-06644;A860906

Chemical Property of Ethyl 3-ethylisoxazole-5-carboxylate

Chemical Property:

• PSA: 52.33000
• LogP: 1.41370
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 169.07389321
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

ethyl3-ethylisoxazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NOC(=C1)C(=O)OCC

Technology Process of Ethyl 3-ethylisoxazole-5-carboxylate

There total 1 articles about Ethyl 3-ethylisoxazole-5-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:

→ ethyl 3-ethylisoxazole-5-carboxylate (90087-37-9)

Guidance literature:

CH3-CH2-CO-CH2-CO-COOC2H5, NH2OH*H2SO4, A., Rueckfluss (Hauptprod., neben einem Nebenprod.);

Reference yield: 59.9%

ethyl 3-ethylisoxazole-5-carboxylate (90087-37-9) → 3-ethylisoxazole-5-carboxylic acid (14633-21-7)

Guidance literature:

With ethanol; sodium hydroxide; at 30 ℃; for 1h;

Reference yield:

ethyl 3-ethylisoxazole-5-carboxylate (90087-37-9) → (1R,2R)-2-(Diphenyl-phosphinoyl)-1-(3-ethyl-isoxazol-5-yl)-propan-1-ol (122221-21-0)

Guidance literature:

Multi-step reaction with 2 steps

1: BuLi

2: NaBH₄

With sodium tetrahydroborate; n-butyllithium;

DOI:10.1016/S0040-4039(01)80641-9

Downstream raw materials:

2-(Diphenyl-phosphinoyl)-1-(3-ethyl-isoxazol-5-yl)-propan-1-one

(1R,2R)-2-(Diphenyl-phosphinoyl)-1-(3-ethyl-isoxazol-5-yl)-propan-1-ol

3-ethylisoxazole-5-carboxylic acid