4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-

Base Information

Chemical Name:4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-
CAS No.:141300-34-7
Molecular Formula:C₁₂H₇FN₆O
Molecular Weight:270.226
Hs Code.:
DSSTox Substance ID:DTXSID30161678
Nikkaji Number:J475.945A
Wikidata:Q83030126

Synonyms:BRN 4880004;4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-;1,8-Dihydro-8-(3-fluorophenyl)-4H-pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one;141300-34-7;DTXSID30161678;LS-129407

Suppliers and Price of 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-

Supply Marketing:

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

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Chemical Property of 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-

Chemical Property:

Vapor Pressure:5.22E-11mmHg at 25°C
Boiling Point:522.4°C at 760 mmHg
Flash Point:269.7°C
Density:1.77g/cm³
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:270.06653703
Heavy Atom Count:20
Complexity:494

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)F)N2C=NN3C2=NC4=C(C3=O)C=NN4

Technology Process of 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)-

There total 3 articles about 4H-Pyrazolo(3,4-d)(1,2,4)triazolo(1,5-a)pyrimidin-4-one, 1,8-dihydro-8-(3-fluorophenyl)- 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: 70.0%

: 141300-24-5
5-Amino-6-(3-fluoro-phenylamino)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one

: 122-51-0
orthoformic acid triethyl ester

: 141300-34-7
8-(3-Fluoro-phenyl)-1,8-dihydro-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one

Guidance literature:: With toluene-4-sulfonic acid; for 18h; Heating;
DOI:10.1016/0223-5234(92)90064-8

Reference yield:

: 404-72-8
3-fluorophenyl isothiocyanate

: 141300-34-7
8-(3-Fluoro-phenyl)-1,8-dihydro-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one

Guidance literature:: Multi-step reaction with 3 steps

1: 50 percent / toluene / 6 h / Heating

2: 85 percent / NH₂NH₂*H₂O / ethanol / 8 h / Heating

3: 70 percent / p-toluenesulphonic acid / 18 h / Heating

With toluene-4-sulfonic acid; hydrazine hydrate; In ethanol; toluene;
DOI:10.1016/0223-5234(92)90064-8

Reference yield:

: 141300-16-5
5-[3-(3-Fluoro-phenyl)-thioureido]-1H-pyrazole-4-carboxylic acid ethyl ester

: 141300-34-7
8-(3-Fluoro-phenyl)-1,8-dihydro-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NH₂NH₂*H₂O / ethanol / 8 h / Heating

2: 70 percent / p-toluenesulphonic acid / 18 h / Heating

With toluene-4-sulfonic acid; hydrazine hydrate; In ethanol;
DOI:10.1016/0223-5234(92)90064-8