3-Methyl-4-nitro-1,2,5-oxadiazole

Base Information

• Chemical Name: 3-Methyl-4-nitro-1,2,5-oxadiazole
• CAS No.: 77666-53-6
• Molecular Formula: C3H3 N3 O3
• Molecular Weight: 129.07
• Hs Code.: 2934999090
• European Community (EC) Number: 692-693-7
• DSSTox Substance ID: DTXSID00362837
• Nikkaji Number: J507.980B
• Wikidata: Q82146307
• Mol file: 77666-53-6.mol

Synonyms:3-methyl-4-nitro-1,2,5-oxadiazole;77666-53-6;3-Methyl-4-nitrofurazan;3-Nitro-4-methylfurazan;SCHEMBL10295453;DTXSID00362837;CDA66653;MFCD00604397;STK686566;AKOS005599792;CCG-321572;CS-0331075

Chemical Property of 3-Methyl-4-nitro-1,2,5-oxadiazole

Chemical Property:

• PSA: 84.74000
• LogP: 0.80940
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 129.01744097
• Heavy Atom Count: 9
• Complexity: 122

Purity/Quality:

99%min ^*data from raw suppliers

3-METHYL-4-NITRO-1,2,5-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NON=C1[N+](=O)[O-]

Technology Process of 3-Methyl-4-nitro-1,2,5-oxadiazole

There total 3 articles about 3-Methyl-4-nitro-1,2,5-oxadiazole 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: 88.0%

3-amino-4-methylfurazan (17647-70-0) → 4-methyl-3-nitrofurazan (77666-53-6)

Guidance literature:

3-amino-4-methylfurazan; With sodium nitrite; In dimethyl sulfoxide; at 0 - 2 ℃; for 0.333333h; pH=4 - 5;

With hydrogenchloride; In water; dimethyl sulfoxide; at 0 - 2 ℃; for 2.5h;

DOI:10.1007/s11172-012-0068-8

Reference yield:

3-amino-4-methylfurazan (17647-70-0) → 4-methyl-3-nitrofurazan (77666-53-6) + methylnitrosofurazan (129282-35-5) + N,N'-Bis-(4-methyl-furazan-3-yl)-diazene N-oxide (129282-41-3)

Guidance literature:

With ammonium peroxydisulfate; sulfuric acid; In water; at -15 - -5 ℃; for 15h; other 3-aminofurazanes;

DOI:10.1007/BF00961726

Reference yield:

3-amino-4-methylfurazan (17647-70-0) → 4-methyl-3-nitrofurazan (77666-53-6) + N,N'-Bis-(4-methyl-furazan-3-yl)-diazene N-oxide (129282-41-3)

Guidance literature:

With nitric acid; trifluoroacetic anhydride;

DOI:10.1007/s11172-006-0027-3

upstream raw materials:

3-amino-4-methylfurazan

Downstream raw materials:

3-methyl-4-(piperazin-1-yl)furazan

Refernces

• 1、 Finogenov,Ovchinnikov,Kulikov,Makhova. "Reactions of furoxanyl and furazanyl diazonium salts with NaNO2 in weakly acidic medium, a new approach to the preparation of nitrofuroxans and nitrofurazans". . p. 472 - 475. Retrieved 2013/06/05.
• 2、 Rakitin, O. A.,Zalesova, O. A.,Kulikov, A. S.,Makhova, N. N.,Godovikova, T. I.,Khmel'nitskii, L. I.. "Synthesis and reactivity of furazanyl- and furoxanyldiazonium salts". . p. 1865 - 1870. Retrieved 2007/10/02.