6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine
- Product Name
- 6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine
- CAS No.
- 55084-74-7
- Chemical Name
- 6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine
- Synonyms
- 6-(Methylthio)-1H-pyrazol...;6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine;6-(Methythio)-1H-pyrazolo[3,4-d]pyrimidine;6-(Methylthio)-1H-pyrazolo[3,4-d]pyriMidine;6-(METHYLTHIO)-1H- PYRAZ0L0[3,4-D]PYRIMIDINE;1H-Pyrazolo[3,4-d]pyrimidine, 6-(methylthio)-;6-(methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine;4-[1-(Methylsulfanyl)-1H-pyrazol-3-yl]pyriMidine
- CBNumber
- CB92500129
- Molecular Formula
- C6H6N4S
- Formula Weight
- 166.2
- MOL File
- 55084-74-7.mol
6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine Property
- Melting point:
- 210-212 °C(Solv: ethanol, 80% (64-17-5))
- Boiling point:
- 318.3±25.0 °C(Predicted)
- Density
- 1.59±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- form
- solid
- pka
- 10.09±0.20(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- 1S/C6H6N4S/c1-11-6-7-2-4-3-8-10-5(4)9-6/h2-3H,1H3,(H,7,8,9,10)
- InChIKey
- USZSUCXARYTYDC-UHFFFAOYSA-N
- SMILES
- CSc1ncc2cn[nH]c2n1
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- M223303
- Product name
- 6-(Methylthio)-1H-pyrazolo[3,4-D]pyrimidine
- Packaging
- 500mg
- Price
- $220
- Updated
- 2021/12/16
- Product number
- CS-0050382
- Product name
- 6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- Packaging
- 1g
- Price
- $225
- Updated
- 2021/12/16
- Product number
- 7H66-1-02
- Product name
- 6-(Methylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidine
- Packaging
- 1g
- Price
- $225
- Updated
- 2021/12/16
- Product number
- CHM1052097
- Product name
- 6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $225.75
- Updated
- 2021/12/16
- Product number
- CS-0050382
- Product name
- 6-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidine
- Packaging
- 100mg
- Price
- $60
- Updated
- 2021/12/16
6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine Chemical Properties,Usage,Production
Synthesis
148256-82-0
55084-74-7
Example 1: Synthesis of 6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidine. [00197] Under ice bath cooling conditions, 4-chloro-2-(methylthio)pyrimidine-5-carbaldehyde (6.3 g, 33 mmol) was dissolved in a mixture of 160 mL of ethanol and N,N-diisopropylethylamine (DIEA, 6.6 g, 52 mmol), followed by the slow addition of hydrazine (1.8 g, 56 mmol, Alfa Aesar item #32728) which lasted for 5 minutes. The reaction mixture was continued to be stirred at 0 °C for 1 h and then transferred to an oil bath at 50 °C for 1 h. The reaction was completed by rotary evaporation. After completion of the reaction, the solvent was removed by rotary evaporation, the residue was washed with deionized water and dried under high vacuum to give the crude product (5.05 g, 91% yield). The crude product can be purified by recrystallization from a solvent mixture of methanol and water. High performance liquid chromatography (HPLC) retention time (Rt): 3.91 min. 1H nuclear magnetic resonance (NMR, CDCl3) δ: 10.95 (broad peak, 1H), 9.00 (single peak, 1H), 8.10 (single peak, 1H), 2.66 (single peak, 3H).
References
[1] Patent: WO2008/94575, 2008, A2. Location in patent: Page/Page column 56-57
6-(Methylthio)-1H-pyrazolo[3,4]pyrimidine Preparation Products And Raw materials
Raw materials
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