Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-

Base Information

Chemical Name:Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-
CAS No.:138187-95-8
Molecular Formula:C12H8N4O4
Molecular Weight:272.2163
Hs Code.:
DSSTox Substance ID:DTXSID20160519
Nikkaji Number:J418.923J
Wikidata:Q83028880
Mol file:138187-95-8.mol

Synonyms:BRN 4819006;Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-;138187-95-8;1-Methyl-6-(2-nitrophenyl)pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one;1-Methyl-6-(2-nitrophenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one;SCHEMBL914218;DTXSID20160519;LS-129106

Suppliers and Price of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-

Supply Marketing:

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

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Chemical Property of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-

Chemical Property:

Vapor Pressure:7.41E-09mmHg at 25°C
Boiling Point:465.9°C at 760 mmHg
Flash Point:235.6°C
Density:1.61g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:272.05455475
Heavy Atom Count:20
Complexity:461

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3[N+](=O)[O-]

Technology Process of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-

There total 5 articles about Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)- 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: 75.0%

: 104907-76-8
1-methyl-5-(2-nitro-benzoylamino)-1H-pyrazole-4-carboxylic acid ethyl ester

: 138187-95-8
1-methyl-6-(2-nitrophenyl)-pyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: With Br₂C₂Cl₄; triethylamine; triphenylphosphine; In toluene; at 80 ℃; for 18h;
DOI:10.1016/S0968-0896(00)00207-8

Reference yield: 75.0%

: 138188-06-4
N-(1-methyl-4-carboxypyrazol-5-yl)-2-nitrobenzamide

: 138187-95-8
1-methyl-6-(2-nitrophenyl)-pyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: With thionyl chloride; In benzene; for 4h; Heating;

Reference yield:

: 31037-02-2
ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

: 138187-95-8
1-methyl-6-(2-nitrophenyl)-pyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 78 percent / pyridine / 17 h / 40 °C

2: 81 percent / hydrazine hydrate / dioxane; propan-2-ol / 1.5 h / Heating

3: 75 percent / Ph₃P; Et₃N; Br₂C₂Cl₄ / toluene / 18 h / 80 °C

With pyridine; Br₂C₂Cl₄; hydrazine hydrate; triethylamine; triphenylphosphine; In 1,4-dioxane; isopropyl alcohol; toluene;
DOI:10.1016/S0968-0896(00)00207-8