Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-

Base Information

Chemical Name:Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CAS No.:115445-72-2
Molecular Formula:C₁₇H₁₁N₃O₂
Molecular Weight:289.293
Hs Code.:
DSSTox Substance ID:DTXSID00151102
Nikkaji Number:J418.920E
Wikidata:Q83017509
ChEMBL ID:CHEMBL1440727
Mol file:115445-72-2.mol

Synonyms:BRN 4815024;Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-;1,6-Diphenylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one;MLS000061031;115445-72-2;SMR000069797;1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one;SR-01000627281;CBMicro_023291;Oprea1_075818;Oprea1_210254;CHEMBL1440727;DTXSID00151102;HMS2443F11;CCG-10476;STK385423;AKOS000513846;SDCCGMLS-0024226.P002;BIM-0023104.P001;SR-01000627281-2;SR-01000627281-3;5538-09-0

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

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

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

Chemical Property:

Vapor Pressure:1.94E-08mmHg at 25°C
Boiling Point:454.2°Cat760mmHg
Flash Point:228.5°C
Density:1.33g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:289.085126602
Heavy Atom Count:22
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2

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

There total 4 articles about Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl- 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: 50.0%

: 115466-09-6
N-(1-phenyl-4-carboxypyrazol-5-yl)-benzamide

: 115445-72-2
1,6-diphenylpyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: With thionyl chloride; In benzene; for 4h; Heating;
DOI:10.3987/COM-87-4261

Reference yield:

: 16078-71-0
ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate

: 115445-72-2
1,6-diphenylpyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / acetonitrile / 7 h / Heating

2: 60 percent / 4percent aqueous NaOH / ethanol / 0.25 h / Heating

3: 50 percent / thionyl chloride / benzene / 4 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol; acetonitrile; benzene;
DOI:10.3987/COM-87-4261

Reference yield:

: 98-88-4
benzoyl chloride

: 115445-72-2
1,6-diphenylpyrazolo<3,4-d>-1,3-oxazin-4(1H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / acetonitrile / 7 h / Heating

2: 60 percent / 4percent aqueous NaOH / ethanol / 0.25 h / Heating

3: 50 percent / thionyl chloride / benzene / 4 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol; acetonitrile; benzene;
DOI:10.3987/COM-87-4261