4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-

Base Information

• Chemical Name: 4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-
• CAS No.: 87967-94-0
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.15200
• European Community (EC) Number: 895-664-9
• DSSTox Substance ID: DTXSID50525258
• Wikidata: Q82392719
• Mol file: 87967-94-0.mol

Synonyms:4-Isoxazolecarboxaldehyde,5-ethyl-3-methyl;

Chemical Property of 4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-

Chemical Property:

• Boiling Point: 241.4±35.0 °C(Predicted)
• PSA: 43.10000
• Density: 1.102±0.06 g/cm3(Predicted)
• LogP: 1.35790
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

4-Isoxazolecarboxaldehyde,5-ethyl-3-methyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=NO1)C)C=O

Technology Process of 4-Isoxazolecarboxaldehyde, 5-ethyl-3-methyl-

There total 2 articles about 4-Isoxazolecarboxaldehyde, 5-ethyl-3-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: 67.0%

(5-ethyl-3-methyl-isoxazol-4-yl)-methanol (60148-44-9) → 5-Ethyl-3-methyl-isoxazole-4-carbaldehyde (87967-94-0)

Guidance literature:

With potassium dichromate; Adogen-464; In ethyl acetate;

Reference yield:

3-methyl-5-ethylisoxazole-4-carboxylic acid (69083-54-1) → 5-Ethyl-3-methyl-isoxazole-4-carbaldehyde (87967-94-0)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminum hydride / tetrahydrofuran / 1.) 0 deg C, 2.) room temperature

2: 67 percent / potassium dichromate, Adogen-464 / ethyl acetate

With potassium dichromate; lithium aluminium tetrahydride; Adogen-464; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

(5-ethyl-3-methyl-isoxazol-4-yl)-methanol

3-methyl-5-ethylisoxazole-4-carboxylic acid

Refernces