1,3-Adamantanediol Chemical Properties

Melting point:

~260 °C

Boiling point:

320.4±10.0 °C(Predicted)

Density 

1.368±0.06 g/cm3(Predicted)

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

14?+-.0.40(Predicted)

form 

Solid

color 

White to Off-White

BRN 

7013501

InChI

InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2

InChIKey

MOLCWHCSXCKHAP-UHFFFAOYSA-N

SMILES

C12(O)CC3CC(CC(O)(C3)C1)C2

CAS DataBase Reference

5001-18-3(CAS DataBase Reference)

Safety Information

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29061990

MSDS

• Language:English Provider:SigmaAldrich

1,3-Adamantanediol Usage And Synthesis

Chemical Properties

white crystal

Uses

1,3-Adamantanediol is used in the synthesis of novel dimethacrylate as possible dental monomers for dental resin mixtures.

Synthesis

The procedure of Example 1 was repeated with the following adjustments: the catalyst was replaced with a vanadium (18 μmol) loaded V/Mont catalyst on montmorillonite; the dosage of adamantane was adjusted to 3 mM; tert-butyl acetate was chosen as the solvent; and the reaction conditions were set to continue at 100 °C for 96 h. The V/Mont catalysts were prepared according to the method described in Japanese Patent Application Publication (kokai) No. 2004-2234. ) No. 2004-2234. The specific operation includes: adding aqueous vanadium(III) chloride solution to montmorillonite (trade name: Kunipia F, produced by Kunimine Industries Co., Ltd.), followed by ion exchange, filtration, washing, drying and roasting at 800°C in air, to finally produce the desired catalysts.

References

[1] Journal of the American Chemical Society, 1989, vol. 111, # 17, p. 6749 - 6757
[2] Journal of the American Chemical Society, 2005, vol. 127, # 44, p. 15391 - 15393
[3] Tetrahedron Letters, 1999, vol. 40, # 11, p. 2165 - 2168
[4] Tetrahedron Letters, 1999, vol. 40, # 11, p. 2165 - 2168
[5] Patent: US2006/235245, 2006, A1. Location in patent: Page/Page column 6-7

1,3-Adamantanediol(5001-18-3)Related Product Information

• Adamantane
• Amantadine
• 2,2-Bis(hydroxymethyl)propionic acid
• 1,4-Butanediol
• 1-Adamantanol
• 2-Pyrrolidinecarbonitrile,1-acetyl-,(2S)-(9CI)
• Dichloroacetyl chloride
• Vildagliptin Impurity 25
• Vildagliptin Impurity 6
• Vildagliptin IMpurity 2 (Mixture of DiastereoMers)
• N-acetic acid-1-aMino-3-adaMantanol
• Vildagliptin Impurity 19
• 1,3,5,7-tetrahydroxyadamantane
• L-Proline, 4-chloro-, trans-
• 2-Pyrrolidinecarboxamide,1-(hydroxyacetyl)-,(S)-(9CI)
• Vildagliptin Carboxylic Acid
• Vildagliptin iMpurity A-F
• 3-Amino-1-hydroxyadamantane