5-Hydroxy-2-adamantanone , 10mMinDMSO , 20098-14-0

CAS NO.：20098-14-0

Empirical Formula: C10H14O2

Molecular Weight: 166.22

MDL number: MFCD00192211

EINECS: 1533716-785-6

PRODUCT Properties

• 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)

Description and Uses

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].

5-Hydroxy-2-adamantanone may be used in the following studies:

• As a model compound to investigate the application of lanthanide NMR shift reagents for the analysis of disubstituted derivative of adamantane.
• As a starting material for the synthesis of E-2-amino-5-hydroxyadamantane.
• As a starting material for the synthesis of 4-(triphenylsilyloxy)adamantan-1-ol.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302-H315-H319-H335
• Precautionary statements: P271-P261-P280
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 24/25-36/37/39-27-26
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29144000