tert-butyl 5-tert-butylisoxazol-3-ylcarbamate

Base Information

• Chemical Name: tert-butyl 5-tert-butylisoxazol-3-ylcarbamate
• CAS No.: 89661-71-2
• Molecular Formula: C₁₂H₂₀N₂O₃
• Molecular Weight: 240.302
• Mol file: 89661-71-2.mol

Synonyms:Carbamic acid, [5-(1,1-dimethylethyl)-3-isoxazolyl]-, 1,1-dimethylethyl ester (9CI);

Chemical Property of tert-butyl 5-tert-butylisoxazol-3-ylcarbamate

Chemical Property:

• Boiling Point: 290.5±28.0 °C(Predicted)
• PKA: 12.21±0.70(Predicted)
• PSA: 64.36000
• Density: 1.086±0.06 g/cm3(Predicted)
• LogP: 3.39210

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl5-tert-butylisoxazol-3-ylcarbamate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl 5-tert-butylisoxazol-3-ylcarbamate

There total 1 articles about tert-butyl 5-tert-butylisoxazol-3-ylcarbamate 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: 54.0%

3-amino-5-tert-butylisoxazole (55809-36-4) + di-tert-butyl dicarbonate (24424-99-5) → 1,1-dimethylethyl [5-(1,1-dimethylethyl)-3-isoxazolyl]carbamate (89661-71-2)

Guidance literature:

3-amino-5-tert-butylisoxazole; With lithium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; for 0.666667h;

di-tert-butyl dicarbonate; In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield:

1,1-dimethylethyl [5-(1,1-dimethylethyl)-3-isoxazolyl]carbamate (89661-71-2) + methyl iodide (74-88-4) → 5-tert-butyl-4-methyl-1,2-oxazol-3-amine (120771-20-2) + 5-tert-butyl-N-methyl-isoxazole-3-amine (55809-35-3)

Guidance literature:

1,1-dimethylethyl [5-(1,1-dimethylethyl)-3-isoxazolyl]carbamate; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

methyl iodide; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1h;

With hydrogenchloride; sodium hydrogencarbonate; In 1,4-dioxane; water; at 75 ℃; for 3h;

upstream raw materials:

3-amino-5-tert-butylisoxazole

di-tert-butyl dicarbonate

Downstream raw materials:

5-tert-butyl-4-methyl-1,2-oxazol-3-amine

5-tert-butyl-N-methyl-isoxazole-3-amine

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