2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one

Product Name: 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
CAS No.: 34682-99-0
Chemical Name: 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
Synonyms: 2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one;2,3-dihydro-2-thioxo-Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one;Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one, 2,3-dihydro-2-thioxo-;2-sulfanylidene-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CBNumber: CB02499420
Molecular Formula: C5H4N4OS
Formula Weight: 168.18
MOL File: 34682-99-0.mol

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2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Property

Melting point:: 284-286 °C(Solv: methanol (67-56-1))
Density: 1.93±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 6.56±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C5H4N4OS/c10-5-8-4(11)7-3-1-2-6-9(3)5/h1-2H,(H2,7,8,10,11)
InChIKey: OOXVDMMAVZXHFW-UHFFFAOYSA-N
SMILES: N12N=CC=C1NC(=S)NC2=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Matrix Scientific

Product number: 125052
Product name: 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one
Purity: 95+%
Packaging: 1g
Price: $594
Updated: 2021/12/16

AK Scientific

Product number: 2184AL
Product name: 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
Packaging: 1g
Price: $651
Updated: 2021/12/16

Chemenu

Product number: CM188026
Product name: 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one
Purity: 95+%
Packaging: 100mg
Price: $62
Updated: 2021/12/16

Crysdot

Product number: CD11139006
Product name: 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
Purity: 95+%
Packaging: 250mg
Price: $80
Updated: 2021/12/16

Chemenu

Product number: CM188026
Product name: 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one
Purity: 95+%
Packaging: 250mg
Price: $128
Updated: 2021/12/16

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2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Chemical Properties,Usage,Production

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 11, p. 199, 1974 DOI: 10.1002/jhet.5570110217
Synthesis, p. 301, 1975 DOI: 10.1055/s-1975-23738

Synthesis

34683-00-6

34682-99-0

General procedure for the synthesis of 2-thio-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one from compound (CAS: 34683-00-6): compound 46 (7.2 g) was dissolved in 2N NaOH solution (70 mL) and stirred at room temperature for 1.5 hours. Subsequently, 2N H2SO4 solution (100 mL) was slowly added to the reaction mixture. Upon completion of the reaction, the resulting precipitate was collected by filtration, washed thoroughly with water and then dried under vacuum to afford compound 47 (5.3 g, 100% yield) as a yellow powder. Thin layer chromatography (TLC) analysis showed an Rf value of 0.16 (unfolding agent ratio MeOH/CH2Cl2, 1/9).1H NMR (300 MHz, DMSO-d6) δ 13.42 (s, 1H), 12.70 (s, 1H), 7.86 (d, J = 1.8 Hz, 1H), 5.88 (d, J = 1.8 Hz, 1H).

References

[1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 20, p. 5955 - 5966
[2] Patent: US2006/106019, 2006, A1. Location in patent: Page/Page column 17
[3] Patent: WO2017/59191, 2017, A1. Location in patent: Paragraph 00170-00173
[4] Patent: WO2015/193169, A1. Location in patent: Page/Page column 47
[4] Patent: , 2015, . Location in patent: Page/Page column 47

2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Suppliers

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34682-99-0