5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole manufacturers
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| | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole Basic information |
| Product Name: | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole | | Synonyms: | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole;4H-Pyrrolo[1,2-b]pyrazole, 5,6-dihydro-;4H,5H,6H-pyrrolo[1,2-b]pyrazole | | CAS: | 107862-65-7 | | MF: | C6H8N2 | | MW: | 108.14 | | EINECS: | | | Product Categories: | | | Mol File: | 107862-65-7.mol | ![5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole Structure](CAS/GIF/107862-65-7.gif) |
| | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole Chemical Properties |
| Boiling point | 206℃ | | density | 1.23 | | Fp | 78℃ | | pka | 2.85±0.20(Predicted) | | InChI | InChI=1S/C6H8N2/c1-2-6-3-4-7-8(6)5-1/h3-4H,1-2,5H2 | | InChIKey | LQKUERRPRLVSLZ-UHFFFAOYSA-N | | SMILES | N1=CC=C2CCCN12 |
| | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole Usage And Synthesis |
| Uses | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole is used in the preparation of withasomnine molecules, pyrazole alkaloids, for their application towards antiinflammatory compounds and analgesics. | | Synthesis | 3-(3-Chloropropyl)-1H-pyrazole (500 mg, 3.5 mmol) was used as a starting material and dissolved in a mixed solvent of isopropanol/water (5 mL/1 mL) and potassium hydroxide (389 mg, 6.9 mmol) was added. The reaction mixture was stirred at 90 °C for 2 hours. After completion of the reaction, the mixture was cooled to room temperature and extracted with dichloromethane (3 x 20 mL). The organic layers were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure. Purification of the residue by silica gel column chromatography (petroleum ether: ethyl acetate = 6:1 to 2:1) afforded 5,6-dihydro-4H-pyrrolo[1,2-B]pyrazole (150 mg, 39.6% yield) as a brown oil.LC-MS (ESI) detection: 109 [M + 1]. | | References | [1] Patent: WO2017/35353, 2017, A1. Location in patent: Paragraph 0953
[2] Tetrahedron Letters, 1996, vol. 37, # 7, p. 1095 - 1096
[3] Patent: WO2013/52394, 2013, A1. Location in patent: Paragraph 00248
[4] Tetrahedron, 2013, vol. 69, # 34, p. 7139 - 7146
[5] Patent: WO2013/192125, 2013, A1. Location in patent: Page/Page column 135 |
| | 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole Preparation Products And Raw materials |
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