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| | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane Basic information | | Physical Form |
| Product Name: | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane | | Synonyms: | 6,6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key interMediate;6,6-DiMethyl-3-azabicyclo[3.1.0]hexane;(1R,5S)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane;3-Azabicyclo[3.1.0]hexane, 6,6-dimethyl-;6-Dimethyl-3-azabicyclo[3.1.0]hexane;WIDELY 6,6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key interMediate;6,6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir Key;imethyl-3-azabicyclo[3.1.0]h | | CAS: | 943516-54-9 | | MF: | C7H13N | | MW: | 111.18 | | EINECS: | 1308068-626-2 | | Product Categories: | Boceprevir Key intermediate;API;1;3 | | Mol File: | 943516-54-9.mol | ![6,6-Dimethyl-3-azabicyclo[3.1.0]hexane Structure](CAS/GIF/943516-54-9.gif) |
| | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane Chemical Properties |
| Boiling point | 135℃ | | density | 0.911 | | Fp | 24℃ | | storage temp. | 2-8°C(protect from light) | | pka | 11.51±0.40(Predicted) | | Appearance | Colorless to light yellow Liquid | | InChI | InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3 | | InChIKey | BGOMFPZIMJCRDV-UHFFFAOYSA-N | | SMILES | C12C(C1(C)C)CNC2 |
| RIDADR | 1993 | | HazardClass | 3 | | PackingGroup | Ⅱ | | HS Code | 2933998090 |
| | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane Usage And Synthesis |
| Physical Form | Liquid | | Uses | 6,6-DiMethyl-3-azabicyclo[3.1.0]hexane Boceprevir is a Key interMediate. | | Application | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane is an important pharmaceutical intermediate, mainly used in the synthesis of antiviral drugs. It is a key intermediate in the hepatitis C protease inhibitor boceprevir, and also a core structural unit in the COVID-19 drug nimatrelvir/paxlovid (PF-07321332). | | Synthesis | 6,6-Dimethyl-3-aza-bicyclo[3.1.01]hexane was synthesised using carbonic anhydride (II) as the starting material. First, in the presence of a nitrogen source, compound II reacted with the catalyst (4-N,N-dimethylaminopyridine) to form the intermediate 6,6-Dimethyl-3-aza-bicyclo[3.1.0]hexane-2,4-dione (III). Finally, compound III was mixed with a THF solution of LiAlH₄ to continue the reaction. The reaction route is as follows:
![synthesis of 6,6-Dimethyl-3-aza-bicyclo[3.1.01]hexane](/NewsImg/2025-12-30/6390271125377549316037104.png "synthesis of 6,6-Dimethyl-3-aza-bicyclo[3.1.01]hexane") |
| | 6,6-Dimethyl-3-azabicyclo[3.1.0]hexane Preparation Products And Raw materials |
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