5-Methyl-1,2,4-oxadiazol-3-amine

Base Information

• Chemical Name: 5-Methyl-1,2,4-oxadiazol-3-amine
• CAS No.: 40483-47-4
• Molecular Formula: C3H5N3O
• Molecular Weight: 99.0922
• Hs Code.: 2934999090
• European Community (EC) Number: 800-998-5
• DSSTox Substance ID: DTXSID40482644
• Nikkaji Number: J673.601G
• Wikidata: Q82319186
• Mol file: 40483-47-4.mol

Synonyms:5-METHYL-1,2,4-OXADIAZOL-3-AMINE;40483-47-4;MFCD08272077;3-amino-5-methyl-1,2,4-oxadiazole;5-METHYL-[1,2,4]OXADIAZOL-3-YLAMINE;1,2,4-OXADIAZOL-3-AMINE, 5-METHYL-;DTXSID40482644;JEEUSAKCHSWJKO-UHFFFAOYSA-N;AMY38392;AKOS005174519;AB44303;CS-W022407;AS-60870;SY083716;FT-0683927;EN300-114035;W17509;5-Methyl-1,2,4-oxadiazol-3-amine, AldrichCPR;5-METHYL-1,2,4-OXADIAZOL-3(2H)-IMINE;A825128;5-Methyl-1 pound not2 pound not4-oxadiazol-3-amine;Z1147462977

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

Chemical Property:

• Vapor Pressure: 0.072mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 228.828 °C at 760 mmHg
• PKA: 1.54±0.24(Predicted)
• Flash Point: 92.192 °C
• PSA: 64.94000
• Density: 1.283 g/cm³
• LogP: 0.54140
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 99.043261792
• Heavy Atom Count: 7
• Complexity: 67.2

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC(=NO1)N

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

There total 1 articles about 5-Methyl-1,2,4-oxadiazol-3-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:

3-(Acetylamino)-4-phenylfurazan (10349-15-2) → 5-methyl-[1,2,4]oxadiazol-3-ylamine (40483-47-4) + benzonitrile (100-47-0)

Guidance literature:

With ammonium hydroxide; for 5h; Irradiation;

Reference yield: 60.0%

5-methyl-[1,2,4]oxadiazol-3-ylamine (40483-47-4) + 2,3,4,5-tetrafluorobenzoyl chloride (94695-48-4) → 3-amino-5-(2,3,4,5-tetrafluorophenyl)-1,2,4-oxadiazole

Guidance literature:

5-methyl-[1,2,4]oxadiazol-3-ylamine; 2,3,4,5-tetrafluorobenzoyl chloride; With pyridine; In benzene; for 8h; Heating;

In ethanol; for 10h; Heating;

With hydrogenchloride; for 8h; Heating;

DOI:10.3987/com-02-9436

Reference yield: 60.0%

5-methyl-[1,2,4]oxadiazol-3-ylamine (40483-47-4) + 2,3,4-trifluoro-benzoyl chloride (157373-08-5) → 5-(2,3,4-trifluoro-phenyl)-[1,2,4]oxadiazol-3-ylamine

Guidance literature:

5-methyl-[1,2,4]oxadiazol-3-ylamine; 2,3,4-trifluoro-benzoyl chloride; With pyridine; In benzene; for 8h; Heating;

In ethanol; for 10h; Heating;

With hydrogenchloride; for 8h; Heating;

DOI:10.3987/com-02-9436

upstream raw materials:

3-(Acetylamino)-4-phenylfurazan

Downstream raw materials:

sulfamethoxazole

3-(benzoylamino)-5-methyl-1,2,4-oxadiazole

1-(5-methyl-[1,2,4]oxadiazol-3-yl)-3-phenyl-urea

N-(5-anilino-[1,2,4]thiadiazol-3-yl)-acetamide

Refernces