Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-

Base Information

• Chemical Name: Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-
• CAS No.: 75632-85-8
• Molecular Formula: C₁₂H₁₆N₂O₂
• Molecular Weight: 220.271
• DSSTox Substance ID: DTXSID50474257
• Wikidata: Q82304136

Synonyms:75632-85-8;Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-;DTXSID50474257

Chemical Property of Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)CCC2=C(ON=C2C)C

Technology Process of Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl-

There total 2 articles about Isoxazole, 4,4'-(1,2-ethanediyl)bis[3,5-dimethyl- 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: 60.0%

4-chloromethyl-3,5-dimethylisoxazole (19788-37-5) → 3,4,5-trimethylisoxazole (10557-82-1) + (Z)-4-Amino-3-hydroxymethyl-pent-3-en-2-one (85679-16-9) + 1,2-bis(3,5-dimethylisoxazol-4-yl)ethane (75632-85-8)

Guidance literature:

With methanol; samarium diiodide; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)85559-8

Reference yield: 47.0%

4-(bromomethyl)-3,5-dimethylisoxazole (53257-32-2) → 3,4,5-trimethylisoxazole (10557-82-1) + 1,2-bis(3,5-dimethylisoxazol-4-yl)ethane (75632-85-8)

Guidance literature:

With methanol; samarium diiodide; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1016/S0040-4039(00)85559-8

upstream raw materials:

4-chloromethyl-3,5-dimethylisoxazole

4-(bromomethyl)-3,5-dimethylisoxazole

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