(1R,3S,5s,7s)-5-Hydroxy-2-adamantanone

Basic Information

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CAS Number

20098-14-0

Molecular Formula

C10H14O2

Molecular Weight

166.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

>300 °C

Boiling Point

296.5℃ at 760 mmHg

Density

1.301

Flash Point

124.9°C

Refractive Index

1.602

SMILES

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C1C2CC3CC(C2)(CC1C3=O)O

InChI

InChI=1S/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2/t6-,7-,8+,10-

InChIKey

TZBDEVBNMSLVKT-XYYXLIQBSA-N

LogP

1.1265

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

228

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AB01563368_01
Tox21_112380
HMS3885P06
s4529
5-hydroxyadamantane-2-on
Idramantone, 20098-14-0,
5-hydroxy-2-admantanone
HMS3264D04
FT-0659076
H0962
(1R,3S)-5-hydroxyadamantan-2-one;5-HYDROXY-2-ADAMANTANONE
5-Hydroxyadamantan-2-one
AE-641/20320060
DTXCID6026581
CHEMBL2105062
5-Hydroxyadmantan-2-one
4-oxo-1-adamantanol
SY032209
BB 0237254
NSC-760375
AKOS001031795
NSC 760375
NS00125561
AKOS016038251
Pharmakon1600-01506164
CAS-20098-14-0
A15355
5-hydroxy adamantanone
SR-01000944271
TRICYCLO(3.3.1.SUP(13,7))DECAN-2-ONE, 5-HYDROXY-
Idramantone

MDL Number

MFCD00192211

Customs Code

2914400090

FAQ

What are the physical and chemical properties of (1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0)?

(1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0) is a crystalline compound with a molecular weight of approximately 186.27 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound exhibits moderate reactivity, particularly under basic conditions. It is often used in organic synthesis due to its unique structure and functional groups.

How is (1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0) typically synthesized?

(1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0) can be synthesized via a multi-step process starting from 2-adamantanone. The synthesis involves reduction to form the hydroxy group, followed by stereoselective reduction using hydrogenation with a suitable catalyst, such as palladium on carbon. The overall yield is approximately 75-80%, and the reaction is highly selective, preserving the chirality of the compound.

What industries use (1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0)?

(1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0) finds applications in the pharmaceutical industry for the synthesis of chiral intermediates, in polymer manufacturing for the development of special plastics, and in sensor technology for detecting specific chemical species. Additionally, it is used in semiconductor manufacturing for specific processing steps.

What precautions should be taken when handling (1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0)?

When handling (1R,3S,5s,7s)-5-Hydroxy-2-adamantanone (CAS: 20098-14-0), it is crucial to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, immediately clean up with care, using appropriate safety protocols. Always refer to the safety data sheet (SDS) for detailed guidelines on handling and storage.