Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate

Base Information

• Chemical Name: Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate
• CAS No.: 20615-94-5
• Molecular Formula: C4H3KN2O3
• Molecular Weight: 166.18
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70697542
• Mol file: 20615-94-5.mol

Synonyms:POTASSIUM 5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE;20615-94-5;potassium;5-methyl-1,2,4-oxadiazole-3-carboxylate;SCHEMBL19521032;DTXSID70697542;AMY26581;MFCD11975674;AKOS016006420;AS-72228;CS-0187794;EN300-219124;Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate, 98%;POTASSIUM5-METHYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE;1,2,4-Oxadiazole-3-carboxylic acid, 5-methyl-, potassium salt (1:1)

Chemical Property of Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate

Chemical Property:

• PSA: 79.05000
• LogP: -1.25850
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 165.97807345
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

Potassium5-methyl-1,2,4-oxadiazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NO1)C(=O)[O-].[K+]

Technology Process of Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate

There total 3 articles about Potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate 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: 77.0%

5-methyl-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester (40699-38-5) → potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate (20615-94-5)

Guidance literature:

With potassium hydroxide; In ethanol; at 76 ℃; Large scale;

DOI:10.1021/op300128c

Reference yield:

methyl 5-methyl-1,2,4-oxadiazole-3-carboxylate (19703-94-7) → potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate (20615-94-5)

Guidance literature:

With potassium hydroxide; In methanol; Large scale;

DOI:10.1021/op300128c

Reference yield:

→ potassium 5-methyl-1,2,4-oxadiazole-3-carboxylate (20615-94-5)

Guidance literature:

5-Methyl-1,2,4-oxadiazol-3-carbonsaeureamid, methanol. KOH;

upstream raw materials:

5-methyl-[1,2,4]oxadiazole-3-carboxylic acid ethyl ester

methyl 5-methyl-1,2,4-oxadiazole-3-carboxylate

Downstream raw materials:

5-methyl-1,2,4-oxadiazole-3-carbonyl chloride