![1-Azabicyclo[2.2.2]octane](https://easycdmo.com/wp-content/uploads/2025/06/100-76-5-1.png)
Cat.NO.:A482782 Purity:98%
Product Details of [ 100-76-5 ]
| CAS No. : | 100-76-5 |
| Formula : |
C7H13N |
| M.W : |
111.18
|
| SMILES Code : | N1(CC2)CCC2CC1 |
| MDL No. : | MFCD00006690 |
| InChI Key : | SBYHFKPVCBCYGV-UHFFFAOYSA-N |
| Pubchem ID : | 7527 |
Safety of [ 100-76-5 ]
| GHS Pictogram: |   |
| Signal Word: | Danger |
| Hazard Statements: | H301-H310-H315-H318 |
| Precautionary Statements: | P501-P270-P262-P264-P280-P302+P352-P332+P313-P362-P301+P310+P330-P302+P350+P310-P305+P351+P338+P310-P405 |
| Class: | 8(6.1) |
| UN#: | 2923 |
| Packing Group: | Ⅱ |
Application In Synthesis of [ 100-76-5 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
- Downstream synthetic route of [ 100-76-5 ]
[ 100-76-5 ] Synthesis Path-Downstream 1~5
- 1
[ 100-76-5 ]
[ 6608-47-5 ]
[ 39896-06-5 ]- 1-Aza-bicyclo[2.2.2]octane; compound with ethenesulfonic acid [ No CAS ]
[ 87323-99-7 ]
- 2
[ 103260-44-2 ]- [ 100-76-5 ]
- 3
[ 5344-27-4 ]- [ 100-76-5 ]
- 4
- [ 100-76-5 ]
[ 126-83-0 ]- 1-(3-sulfo-2-hydroxypropyl)quinuclidinium inner salt [ No CAS ]
| Yield | Reaction Conditions | Operation in experiment |
|---|---|---|
| 77% | Preparation of 1-(3-sulfo-2-hydroxypropyl) quinuclidinium, inner salt (Compound JX); A solution of 3-chloro-2-hydroxy-1-propanesulfonic acid, sodium salt (2 g, 10 mmol) in water (12 mL total volume) was added over 1 hour to a mixture of quinuclidine (1.63 g, 4.7 mmol), water (10 mL) and 1,4-dioxane (10 mL) at 80 C. The mixture was stirred at this temperature for another 2 hours after the end of the addition. The reaction mixture was concentrated then the mixture was passed over a column of Dowex 50×8 (125 g). The fractions containing the pure product were concentrated to a white solid. The solid was dried for 18 hours at 60 C. in the vacuum oven. The desired material was obtained as a white solid (1.92 g, 7.7 mmol, 77%). The 1H and 13C NMR and MS were consistent with the structure. |
- 5
- [ 100-76-5 ]
[ 13195-50-1 ]
[ 127-08-2 ]- [ 1173173-98-2 ]
References: [1]Tetrahedron Letters,2009,vol. 50,p. 3813 – 3816.
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