(3-Ethyl-1,2,4-oxadiazol-5-yl)methanamine

Base Information

• Chemical Name: (3-Ethyl-1,2,4-oxadiazol-5-yl)methanamine
• CAS No.: 103457-61-0
• Molecular Formula: C₅H₉N₃O
• Molecular Weight: 127.146
• DSSTox Substance ID: DTXSID00445295
• Wikidata: Q82263662
• Mol file: 103457-61-0.mol

Synonyms:103457-61-0;(3-ethyl-1,2,4-oxadiazol-5-yl)methanamine;1-(3-ethyl-1,2,4-oxadiazol-5-yl)methanamine;5-Aminomethyl-3-ethyl-1,2,4-oxadiazole;SCHEMBL668565;(3-ETHYL-1,2,4-OXADIAZOL-5-YL)METHYLAMINE;DTXSID00445295;FDWYISIKXAASEG-UHFFFAOYSA-N;STK506268;AKOS005172386;AB55633;BB 0238802;CS-0376789;EN300-862763;C-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-methylamine

Chemical Property of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanamine

Chemical Property:

• Boiling Point: 90-100 °C(Press: 0.3 Torr)
• PKA: 6.35±0.29(Predicted)
• Density: 1.140±0.06 g/cm3(Predicted)
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 127.074561919
• Heavy Atom Count: 9
• Complexity: 88.3

Purity/Quality:

98%min ^*data from raw suppliers

[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NOC(=N1)CN

Technology Process of (3-Ethyl-1,2,4-oxadiazol-5-yl)methanamine

There total 3 articles about (3-Ethyl-1,2,4-oxadiazol-5-yl)methanamine 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: 92.0%

3-Ethyl-5-(phthalimidomethyl)-1,2,4-oxadiazol (103457-64-3) → 5-(Aminomethyl)-3-ethyl-1,2,4-oxadiazol (103457-61-0)

Guidance literature:

With hydrazine; In methanol; for 3h; Heating;

DOI:10.1002/jlac.198619861008

Reference yield:

C13H13N3O4 → 5-(Aminomethyl)-3-ethyl-1,2,4-oxadiazol (103457-61-0)

Guidance literature:

Multi-step reaction with 2 steps

1: xylene / 6 h / Heating

2: 92 percent / NH₂NH₂ / methanol / 3 h / Heating

With hydrazine; In methanol; xylene;

DOI:10.1002/jlac.198619861008

Reference yield:

→ 5-(Aminomethyl)-3-ethyl-1,2,4-oxadiazol (103457-61-0)

Guidance literature:

upstream raw materials:

3-Ethyl-5-(phthalimidomethyl)-1,2,4-oxadiazol

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