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| | 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine Basic information | | Uses Application |
| Product Name: | 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine | | Synonyms: | 4,6-DICHLORO-1H-PYRAZOLO[3,4-D]PYRIMIDINE;4,6-dichloro-2H-pyrazolo[3,4-d]pyrimidine;1H-Pyrazolo[3,4-d]pyrimidine,4,6-dichloro-;4,6-dichloropyrrolo[2,3-d]pyrimidine;4,6-Dichloro-1H-pyrazole[3,4-D]pyriMidine;4,6-Dichloropyrazolo[3,4-d]pyriMidine;6-Dichloro-1H-pyrazolo[3;4,6-dichloro-1H-pyrazolo[3,4-d]pP03119ine | | CAS: | 42754-96-1 | | MF: | C5H2Cl2N4 | | MW: | 189 | | EINECS: | 948-193-9 | | Product Categories: | Aromatics;Heterocycles;Building Blocks;Pyrazolo[x,x-y]pyridine;Heterocycle-Pyrimidine series;CHIRAL CHEMICALS | | Mol File: | 42754-96-1.mol | ![4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine Structure](CAS/GIF/42754-96-1.gif) |
| | 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine Chemical Properties |
| Melting point | 145 °C (decomp) | | Boiling point | 251.9±50.0 °C(Predicted) | | density | 2.02±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | solid | | pka | 7.90±0.20(Predicted) | | color | Off-white to yellow | | InChI | InChI=1S/C5H2Cl2N4/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H,8,9,10,11) | | InChIKey | CTYPROOLWJDUTA-UHFFFAOYSA-N | | SMILES | C1(Cl)=NC(Cl)=C2C=NNC2=N1 |
| Hazard Codes | T | | Risk Statements | 25 | | Safety Statements | 45-24/25 | | RIDADR | UN2811 | | HazardClass | IRRITANT | | HS Code | 29335990 |
| | 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine Usage And Synthesis |
| Uses | 4,6-Dichloro-1H-pyrazolo[3,4-C]pyrimidine is a heterocyclic organic compound that can be used as a pharmaceutical intermediate. | | Application | 4,6-Dichloro-1H-pyrazolo[3,4-C]pyrimidine is an organic synthesis intermediate and a pharmaceutical intermediate, mainly used in laboratory research and development processes and chemical production processes. | | Chemical Properties | Yellow solid | | Synthesis | To a solution of 2,4,6-trichloropyrimidine-5-carbaldehyde (19.0 g, 990 mmol) in methanol (300 mL) was added drop-wise a solution of hydrazine monohydrate (4.8 mL) in methanol (80 mL) at 0 °C followed by drop-wise addition of triethylamine (13 mL) in methanol (80 mL) at 0 °C. The mixture was stirred at the same temperature for 30 mm. The solvent was removed, and the residue was purified by flash chromatography to afford 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine (10.3 g, 62 % yield) as a yellow solid. ‘H NMR (CDC13, 400IVIHz): 11.56 (br, 1H), 8.43 (s, 1H). MS m/z 190.68 [M+1].
| | References | [1] Patent: EP1772454, 2007, A1. Location in patent: Page/Page column 58
[2] Patent: WO2010/56320, 2010, A2. Location in patent: Page/Page column 60
[3] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 5, p. 584 - 589
[4] Patent: WO2016/130920, 2016, A2. Location in patent: Page/Page column 119
[5] Patent: , 2016, . Location in patent: Paragraph 0019 |
| | 4,6-Dichloro-1H-pyrazolo[3,4-d]pyrimidine Preparation Products And Raw materials |
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