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

Base Information

Chemical Name:Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl-
CAS No.:138187-97-0
Molecular Formula:C₁₂H₈ClN₃O₂
Molecular Weight:261.667
Hs Code.:
DSSTox Substance ID:DTXSID90160521
Nikkaji Number:J418.925F
Wikidata:Q83028882
Mol file:138187-97-0.mol

Synonyms:BRN 4813545;Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl-;138187-97-0;6-(2-Chlorophenyl)-1-methylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one;DTXSID90160521;LS-129099;1-Methyl-6-(2-chlorophenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one

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

Supply Marketing:

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

Manufacturers and distributors:

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

Chemical Property:

Vapor Pressure:4.65E-07mmHg at 25°C
Boiling Point:413.9°Cat760mmHg
Flash Point:204.1°C
Density:1.51g/cm³
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:261.0305042
Heavy Atom Count:18
Complexity:388

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3Cl

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

There total 4 articles about Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- 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: 74.0%

: 138188-08-6
N-(1-methyl-4-carboxypyrazol-5-yl)-2-chlorobenzamide

: 138187-97-0
1-methyl-6-(2-chlorophenyl)-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

: 138187-97-0
1-methyl-6-(2-chlorophenyl)-pyrazolo<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: 86 percent / aq. 4 percent KOH / ethanol / 1) 15 min reflux, 2) 12 h at r.t.

3: 74 percent / thionyl chloride / benzene / 4 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol; acetonitrile; benzene;

Reference yield:

: 609-65-4
o-chlorobenzoyl chloride

: 138187-97-0
1-methyl-6-(2-chlorophenyl)-pyrazolo<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: 86 percent / aq. 4 percent KOH / ethanol / 1) 15 min reflux, 2) 12 h at r.t.

3: 74 percent / thionyl chloride / benzene / 4 h / Heating

With potassium hydroxide; thionyl chloride; In ethanol; acetonitrile; benzene;