Cas no 96483-83-9 (3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione)
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione is a bicyclic organic compound featuring a diazabicyclo[3.2.1]octane core with benzyl and diketone functional groups. Its rigid scaffold and nitrogen-rich structure make it a valuable intermediate in medicinal chemistry, particularly for the synthesis of pharmacologically active molecules. The compound's stereochemistry and functional group arrangement offer versatility in drug design, enabling selective modifications for target interactions. Its stability under standard conditions ensures reliable handling in synthetic applications. Researchers may explore its potential as a building block for heterocyclic compounds or as a precursor in the development of bioactive agents, including central nervous system (CNS) therapeutics.
![3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione structure](https://ossimg.kuujia.com/scimg/96500/96483-83-9x500.png)
96483-83-9 structure
Product Name:3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CAS No:96483-83-9
MF:C13H14N2O2
MW:230.262463092804
CID:4936717
Update Time:2025-06-08
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 3-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
- 3-Benzyl-3,8-diazabicyclooctane[3.2.1]-2,4-dione
- 3-BENZYL-2,4-DIOXO-3,8-DIAZABICYCLO [3.2.1] OCTANE
- 3-BENZYL-2,4-DIOXO-3,8-DIAZABICYCLO(3.2.1)OCTANE
- 3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
-
- Inchi： 1S/C13H14N2O2/c16-12-10-6-7-11(14-10)13(17)15(12)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
- InChI Key： NTNUTDMPEVEYBJ-UHFFFAOYSA-N
- SMILES： O=C1C2CCC(C(N1CC1C=CC=CC=1)=O)N2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 314
- XLogP3: 1
- Topological Polar Surface Area: 49.4
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019141179-5g |
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione |
96483-83-9 | 97% | 5g |
$728.14 | 2023-08-31 | |
| Crysdot LLC | CD11002238-5g |
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione |
96483-83-9 | 97% | 5g |
$699 | 2024-07-19 |
3-Benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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