| Identification | More | [Name]
5-Hydroxyadamantan-2-one | [CAS]
20098-14-0 | [Synonyms]
5-HYDROXY-2-ADAMANTANONE
AKOS BB-9629
CHEMBRDG-BB 4013898
kemantane
Hydroxyadamantanone
5-Hydroxy-2-adamantone
5-HYDROXY-2-ADAMANTANONE 98+%
5-Hydroxyadamantan-2-one
1-Hydroxyadamantane-4-one
5-Hydroxytricyclo[3.3.1.13,7]decane-2-one | [EINECS(EC#)]
1533716-785-6 | [Molecular Formula]
C10H14O2 | [MDL Number]
MFCD00192211 | [Molecular Weight]
166.22 | [MOL File]
20098-14-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
>300 °C (lit.) | [Boiling point ]
296.5±33.0 °C(Predicted) | [density ]
1.301±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO, Methanol | [form ]
Crystalline Powder | [pka]
14.69±0.20(Predicted) | [color ]
White to off-white | [InChI]
InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2 | [InChIKey]
TZBDEVBNMSLVKT-RIKBPLFRSA-N | [SMILES]
C12CC3(O)CC(CC(C3)C1=O)C2 | [CAS DataBase Reference]
20098-14-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29144000 |
| Hazard Information | Back Directory | [Description]
5-Hydroxy-2-adamantanone (5-hydroxyadamantan-2-one) is a versatile starting material for synthesising various 2,5- or 1,4-disubstituted adamantanes. Chemical methods for synthesizing 5-hydroxy-2-adamantanone include disproportionation of 2-hydroxyadamantane and oxidation of 2-adamantanone. A synthetic approach to produce 5-hydroxy-2-adamantanone using P450cam (CYP101A1; a camphor monooxygenase) coupled with NADH regeneration as an oxidation biocatalyst has been reported[1].
| [Chemical Properties]
White crystal or crystalline powder | [Uses]
anthelmintic | [Definition]
ChEBI: Idramantone is a member of adamantanones. | [Brand name]
INDICLOR (Nycomed
Amersham). | [General Description]
5-Hydroxy-2-adamantanone is a disubstituted derivative of adamantane. The biocatalyzed synthesis of 5-hydroxy-2-adamantanone from 2-adamantanone has been investigated. | [References]
[1] Toshiki Furuya . “Biocatalytic production of 5-hydroxy-2-adamantanone by P450cam coupled with NADH regeneration.” Journal of Molecular Catalysis B-enzymatic 94 (2013): Pages 111-118.
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