3-Tert-butyl-1,2,4-oxadiazol-5-amine

Base Information

• Chemical Name: 3-Tert-butyl-1,2,4-oxadiazol-5-amine
• CAS No.: 114065-37-1
• Molecular Formula: C₆H₁₁N₃O
• Molecular Weight: 141.173
• European Community (EC) Number: 961-064-1
• Mol file: 114065-37-1.mol

Synonyms:114065-37-1;3-TERT-BUTYL-1,2,4-OXADIAZOL-5-AMINE;3-(tert-Butyl)-1,2,4-oxadiazol-5-amine;1,2,4-Oxadiazol-5-amine,3-(1,1-dimethylethyl)-(9CI);1,2,4-Oxadiazol-5-amine, 3-(1,1-dimethylethyl)-;SCHEMBL77690;MFCD11847817;AKOS008152016;CCG-351633;3-(t-Butyl)-1,2,4-oxadiazol-5-amine;AS-48650;EN300-75677;F52123;F8889-6930;Z991477688

Chemical Property of 3-Tert-butyl-1,2,4-oxadiazol-5-amine

Chemical Property:

• Melting Point: 192 °C
• Boiling Point: 242.2±23.0 °C(Predicted)
• PKA: 2.98±0.50(Predicted)
• PSA: 64.94000
• Density: 1.105±0.06 g/cm3(Predicted)
• LogP: 1.53050
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.090211983
• Heavy Atom Count: 10
• Complexity: 121

Purity/Quality:

99% ^*data from raw suppliers

3-tert-Butyl-1,2,4-oxadiazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=NOC(=N1)N

Technology Process of 3-Tert-butyl-1,2,4-oxadiazol-5-amine

There total 2 articles about 3-Tert-butyl-1,2,4-oxadiazol-5-amine 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:

1-(5-Amino-tetrazol-1-yl)-2,2-dimethyl-propan-1-one oxime; compound with triethyl-amine → 3-tert-Butyl-[1,2,4]oxadiazol-5-ylamine (114065-37-1)

Guidance literature:

In ethanol; for 0.25h; Yield given; Heating;

Reference yield:

1-chloro-2,2-dimethyl-propan-1-one oxime (3273-26-5) → 3-tert-Butyl-[1,2,4]oxadiazol-5-ylamine (114065-37-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 87 percent / acetone / 2 h / Ambient temperature

2: ethanol / 0.25 h / Heating

In ethanol; acetone;

upstream raw materials:

1-chloro-2,2-dimethyl-propan-1-one oxime