1,3,5-ADAMANTANETRIOL Chemical Properties

Melting point:

203-207 °C

Boiling point:

339.7±37.0 °C(Predicted)

Density 

1.606±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

14.03±0.60(Predicted)

color 

White to Almost white

InChI

InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2

InChIKey

MCYBYTIPMYLHAK-UHFFFAOYSA-N

SMILES

C12(O)CC3(O)CC(CC(O)(C3)C1)C2

CAS DataBase Reference

99181-50-7

Safety Information

HS Code 

2906.19.5000

1,3,5-ADAMANTANETRIOL Usage And Synthesis

Chemical Properties

1,3,5-Adamantanetriol is chemically stable and is not susceptible to chemical reactions under normal conditions. The chemical reactivity of the substance is focused on the three reactive hydroxyl groups in its structure, which have equivalent chemical reaction sites. Despite the presence of three equivalent hydroxyl groups, it has been shown that it is possible to selectively halogenate one of the hydroxyl groups, thereby introducing different functional groups into the molecule to expand its chemical diversity. In addition, due to the nucleophilicity of the hydroxyl group, the substance can be acylated with chlorinated compounds to give the corresponding ester derivatives.

Uses

Adamantane-1,3,5-triol is an intermediate for the synthesis of adamantane-based trimeric cationic surfactants and other adamantane polyhydric alcohols.

1,3,5-ADAMANTANETRIOL(99181-50-7)Related Product Information

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