3-(tert-Butyl)isoxazole

Base Information

• Chemical Name: 3-(tert-Butyl)isoxazole
• CAS No.: 1003-86-7
• Molecular Formula: C7H11NO
• Molecular Weight: 125.16834
• DSSTox Substance ID: DTXSID701306389
• Mol file: 1003-86-7.mol

Synonyms:3-(tert-Butyl)isoxazole;1003-86-7;t-butyl isoxazole;3-t-butylisoxazole;Isoxazole, 3-(1,1-dimethylethyl)-;SCHEMBL680606;3-(1,1-Dimethylethyl)isoxazole;MUCMKDMHJJIVHM-UHFFFAOYSA-N;DTXSID701306389;AKOS026734190

Chemical Property of 3-(tert-Butyl)isoxazole

Chemical Property:

• PSA: 26.03000
• LogP: 1.97210
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 95.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NOC=C1

Technology Process of 3-(tert-Butyl)isoxazole

There total 1 articles about 3-(tert-Butyl)isoxazole 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:

4,4-dimethyl-1-pentyn-3-one (5891-25-8) → 3-tert-butyl-isoxazole (1003-86-7) + 5-tert-Butyl-isoxazol (1122-01-6)

Guidance literature:

With hydroxylamine hydrochloride; sodium carbonate; In ethanol; for 15h; Title compound not separated from byproducts; Heating;

upstream raw materials:

4,4-dimethyl-1-pentyn-3-one