[4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone

Base Information

Chemical Name:[4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone
CAS No.:21443-49-2
Molecular Formula:C18H14N2O4
Molecular Weight:322.32
Hs Code.:
DSSTox Substance ID:DTXSID00362594
Nikkaji Number:J1.869.499I
Wikidata:Q82145812
ChEMBL ID:CHEMBL1330109
Mol file:21443-49-2.mol

Synonyms:[4-(4-methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone;21443-49-2;SMR000147209;MLS000555492;[4-(4-Methyl-benzoyl)-5-oxy-furazan-3-yl]-p-tolyl-methanone;CHEMBL1330109;SCHEMBL15891247;3,4-di(4-methylbenzoyl)furoxan;BDBM78065;cid_1388811;BRD7324;DTXSID00362594;REGID_for_CID_1388811;HMS2613G11;BRD-7324;STK536281;AKOS005467361;3,4-Bis(4-methylbenzoyl)furazan 2-oxide;BRD-K36187324-001-04-9;(5-oxido-4-p-toluoyl-furazan-5-ium-3-yl)-(p-tolyl)methanone;(2-oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-methylphenyl)methanone];(4-methylphenyl)-[4-(4-methylphenyl)carbonyl-5-oxidanidyl-1,2,5-oxadiazol-5-ium-3-yl]methanone;(4-methylphenyl)-[4-[(4-methylphenyl)-oxomethyl]-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]methanone

Suppliers and Price of [4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of [4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone

Chemical Property:

PSA：85.63000
LogP:3.18190
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:322.09535693
Heavy Atom Count:24
Complexity:468

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)C)[O-]

Technology Process of [4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone

There total 9 articles about [4-(4-Methylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(4-methylphenyl)methanone 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: 97.0%

: 540-80-7
tert.-butylnitrite

: 122-00-9
para-methylacetophenone

: 21443-49-2
3,4-bis(p-methylbenzoyl)-1,2,5-oxadiazole-N-oxide

Guidance literature:: With air; In 1,4-dioxane; at 20 - 60 ℃; for 24h;

Reference yield: 83.0%

: 1-(((dimethyl(oxo)- λ⁶-sulfanylidene)methyl)sulfonyl)-4-methylbenzene

: 21443-49-2
3,4-bis(p-methylbenzoyl)-1,2,5-oxadiazole-N-oxide

Guidance literature:: With tert.-butylnitrite; sodium acetate; In 1,4-dioxane; at 40 ℃; for 2h; Solvent; Temperature; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.orglett.9b01876

Reference yield: 58.0%

: 122-00-9
para-methylacetophenone

: 21443-49-2
3,4-bis(p-methylbenzoyl)-1,2,5-oxadiazole-N-oxide

Guidance literature:: With Iron(III) nitrate nonahydrate; phosphorus pentoxide; at 20 ℃; for 5h; Milling; Green chemistry;
DOI:10.1016/j.tetlet.2019.05.024