1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl-, 5-oxide

Base Information

• Chemical Name: 1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl-, 5-oxide
• CAS No.: 50412-70-9
• Molecular Formula: C4H3ClN2O3
• Molecular Weight: 162.532
• DSSTox Substance ID: DTXSID10442351
• Nikkaji Number: J1.298.382D
• Wikidata: Q82259581
• Mol file: 50412-70-9.mol

Synonyms:1,2,5-OXADIAZOLE-3-CARBONYL CHLORIDE, 4-METHYL-, 5-OXIDE;50412-70-9;SCHEMBL12922513;DTXSID10442351;4-(chlorocarbonyl)-3-methylfuroxan;3-Methyl-4-(chlorocarbonyl)furazan 2-oxide

Chemical Property of 1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl-, 5-oxide

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.9832197
• Heavy Atom Count: 10
• Complexity: 153

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=[N+](ON=C1C(=O)Cl)[O-]

Technology Process of 1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl-, 5-oxide

There total 1 articles about 1,2,5-Oxadiazole-3-carbonyl chloride, 4-methyl-, 5-oxide 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-methyl-4-furoxancarboxylic acid (37132-21-1) → 4-(chlorocarbonyl)-3-methylfuroxan (50412-70-9)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide;

Reference yield: 65.0%

4-(chlorocarbonyl)-3-methylfuroxan (50412-70-9) + N-amino-2-{2'-[(2'',6''-dichlorophenyl)amino]phenyl}acetamide (133239-50-6) → 4-[2-(2-(2-(2,6-dichlorophenylamino)phenyl)acetyl)hydrazinecarbonyl]-3-methylfuroxan

Guidance literature:

With triethylamine; In toluene;

Reference yield: 64.0%

4-(chlorocarbonyl)-3-methylfuroxan (50412-70-9) + ibuprofen hydrazide (127222-69-9) → 4-[2-[2-(4-isobutylphenyl)propanoyl]hydrazinecarbonyl]-3-methylfuroxan

Guidance literature:

With triethylamine; In toluene; at 20 ℃; for 3h;

DOI:10.1007/s00706-015-1557-x

upstream raw materials:

3-methyl-4-furoxancarboxylic acid

Refernces

• 1、 Mu, Li,Feng, Si-Shen,Go, Mei Lin. "Study of synthesis and cardiovascular activity of some furoxan derivatives as potential NO-donors". . p. 808 - 816. Retrieved 2007/10/03.
• 2、 Gasco,Mortarini,Reynaud. "Synthesis of alpha-(5-(3-methylfurazan-4-yl)-1,2,4-triazol-3-ylthio)acethydrazide and corresponding furoxan derivatives". . p. 624 - 630. Retrieved 2007/10/08.