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| | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE Basic information | | Application |
| Product Name: | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE | | Synonyms: | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE;TERT-BUTYL 3-AMINO-4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE;5-BOC-3-AMINO-4,6-DIHYDRO-PYRROLO[3,4-C]PYROZOLE;tert-butyl 3-aminopyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate;tert-Butyl 3-amino-4,6-dihydropyrrolo[3,4-C]pyrozole-5-carboxylate;5-Boc-3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole;3-Amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester;5-Boc-3-amino-4,6-dihydro... | | CAS: | 398491-59-3 | | MF: | C10H16N4O2 | | MW: | 224.26 | | EINECS: | | | Product Categories: | CHIRAL CHEMICALS | | Mol File: | 398491-59-3.mol | ![5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE Structure](CAS/GIF/398491-59-3.gif) |
| | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE Chemical Properties |
| Melting point | 167-169 °C(Solv: isopropanol (67-63-0)) | | Boiling point | 433.0±45.0 °C(Predicted) | | density | 1.314±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | pka | 16.32±0.20(Predicted) | | Appearance | Off-white to light brown Solid | | InChI | InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13) | | InChIKey | BEVRTOCHMXNPLY-UHFFFAOYSA-N | | SMILES | N1=C(N)C2CN(C(OC(C)(C)C)=O)CC=2N1 | | CAS DataBase Reference | 398491-59-3 |
| | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE Usage And Synthesis |
| Application | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE can be used as an organic synthesis intermediate and a pharmaceutical intermediate, and is mainly used in laboratory organic synthesis and chemical and pharmaceutical synthesis processes. | | Synthesis | The general procedure for the synthesis of 3-amino-5-tert-butoxycarbonyl-pyrrolo[3,4-C]pyrazole from 1-Boc-3-cyano-4-pyrrolidinone was as follows: 1-Boc-3-cyano-4-pyrrolidinone (4.5 g, 43 mmol) was dissolved in anhydrous ethanol (250 ml), and the reaction was stirred for 3 h at 60 °C. After completion of the reaction, the solvent was removed by distillation under reduced pressure. Saturated sodium bicarbonate solution (50 ml) was added to the residue until the solid was completely dissolved. Subsequently, the extracted organic phase was removed by evaporation under reduced pressure to give the white solid product 1b (6.3 g, 66% yield). The product did not require further purification and could be used directly in the next step of the reaction. | | References | [1] Patent: CN106279177, 2017, A. Location in patent: Paragraph 0103; 0104; 0105
[2] Journal of Medicinal Chemistry, 2005, vol. 48, # 8, p. 3080 - 3084
[3] Patent: WO2007/87231, 2007, A2. Location in patent: Page/Page column 37
[4] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 14, p. 4273 - 4278
[5] Patent: CN104072498, 2016, B. Location in patent: Paragraph 0150 |
| | 5N-BOC-3-AMINO-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYROZOLE Preparation Products And Raw materials |
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