| Identification | Back Directory | [Name]
8-BOC-3,8-DIAZA-BICYCLO[3.2.1]OCTANE | [CAS]
149771-44-8 | [Synonyms]
EOS-62177
8-BOC-3,8-DIAZA-BICYCLO[3.2.1]OCTANE
8-t-butoxycarbonyl-3,8-diazabicyclo[3.2.1]octane
8-Boc-3,8-diaza-bicyclo[3.2.1]octane hydrochloride
8-(tert-Butoxycarbonyl)-3,8-diazabicyclo[3.2.1]octane
8-BOC-3,8-DIAZA-BICYCLO[3.2.1]OCTANE ISO 9001：2015 REACH
1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate
tert-butyl (1S,5R)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
3,8-Diazabicyclo[3.2.1]octan-8-carboxylic acid tert-butyl ester
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 8-BOC protected 97+%
3,8-Diazabicyclo[3.2.1]octane-8-carboxylic acid, 1,1-diMethylethyl ester | [Molecular Formula]
C11H20N2O2 | [MDL Number]
MFCD04115137 | [MOL File]
149771-44-8.mol | [Molecular Weight]
212.29 |
| Chemical Properties | Back Directory | [Boiling point ]
295.4±15.0 °C(Predicted) | [density ]
1.076±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
solid | [pka]
9.53±0.20(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)7-12-6-8/h8-9,12H,4-7H2,1-3H3 | [InChIKey]
HNINFCBLGHCFOJ-UHFFFAOYSA-N | [SMILES]
C12N(C(OC(C)(C)C)=O)C(CC1)CNC2 |
| Hazard Information | Back Directory | [Uses]
tert-Butyl 3,8-Diazabicyclo[3.2.1]octane-8-carboxylate is used in preparation of isoquinolinone derivatives and pharmaceutical compounds thereof for prevention or treatment of poly(ADP-ribose)polymerase-1 (PARP-1)-associated diseases. | [Synthesis]
The hydrogenation reaction of tert-butyl 3-benzyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (13.0 g, 43.0 mmol) was carried out in ethanol (100 mL, 99%) in the presence of palladium carbon (4.0 g, 5%) catalyst. Upon completion of the reaction, the mixture was filtered through diatomaceous earth and the filtrate was dried and the solvent evaporated to afford the white powdery product tert-butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate. The yield was 8.4 g (92% yield) and the melting point was 103.4-106°C. The product was obtained as follows. | [References]
[1] Journal of Medicinal Chemistry, 1998, vol. 41, # 5, p. 674 - 681
[2] Patent: US2002/128271, 2002, A1
[3] Patent: EP1213289, 2002, A1. Location in patent: Page 13
[4] Patent: WO2006/106090, 2006, A1. Location in patent: Page/Page column 16
[5] Tetrahedron Letters, 2002, vol. 43, # 5, p. 899 - 902 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|