| Identification | More | [Name]
(S,S)-2,8-Diazabicyclo[4,3,0]nonane | [CAS]
151213-42-2 | [Synonyms]
CIS-OCTAHYDROPYRROLO[3,4-B]PYRIDINE
(R,R)-2,8-DIAZABICYCLO[4,3,0]NONANE
[S,S]-2,8-DIAZABICYCLO[4,3,0]NONANE
(S,S)-2,8-Diazabicylco(4,3,0)Nonane
[S,S]-2,8-Diazabicyclo[4.3.0]Nonane98%
(S,S)-2,8-Diazabicyclo[4,3,0]onoane
(S,S)-2,8-DIAZABICYCLO[4,3,0]NONANE [FOR MOXIFLOXACIN] | [EINECS(EC#)]
604-779-3 | [Molecular Formula]
C7H14N2 | [MDL Number]
MFCD04116298 | [Molecular Weight]
126.2 | [MOL File]
151213-42-2.mol |
| Chemical Properties | Back Directory | [Boiling point ]
198.5±8.0 °C(Predicted) | [density ]
0.950±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
Chloroform (Slightly), Methanol (Slightly), Water | [form ]
Oil | [pka]
11.11±0.20(Predicted) | [color ]
Colourless to Yellow | [InChI]
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m1/s1 | [InChIKey]
KSCPLKVBWDOSAI-RQJHMYQMSA-N | [SMILES]
[C@]12([H])CNC[C@@]1([H])CCCN2 | [CAS DataBase Reference]
151213-42-2(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Clear light red liquid | [Uses]
(1R,6R)-2,8-Diazabicyclo[4.3.0]nonane is a chiral reagent used in the synthesis of pyrrolopyrimidine derivatives as dual DNA gyrase B and topoisomerase IV inhibitors and potential antibacterial agents. | [Synthesis]
The general procedure for the synthesis of (4aR,7aR)-octahydro-6-(phenylmethyl)-1H-pyrrolo[3,4-b]pyridine from (4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine is as follows: 19.4 g (0.09 mol) of (R,R)-8-benzyl-2,8-diazabicyclo[4.3.0]nonane was dissolved in methanol with the addition of 3.96 g of 5% palladium/activated carbon catalyst and hydrogenated at 90 °C and 130 °C for 5 hours. Upon completion of the reaction, the catalyst was removed by filtration and the catalyst was washed with methanol. The filtrate was concentrated under vacuum and the residue was directly distilled without fractionation. A final product of 9.61 g was obtained in 85% yield of the theoretical value. The boiling point of the product was 45-58°C/0.08 mbar. | [References]
[1] Patent: WO2003/106450, 2003, A1. Location in patent: Page column 58
[2] Patent: US5468742, 1995, A
[3] Patent: US5480879, 1996, A
[4] Oriental Journal of Chemistry, 2013, vol. 29, # 1, p. 241 - 246 |
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