ChemicalBook--->CAS DataBase List--->5001-18-3

5001-18-3

5001-18-3 Structure

5001-18-3 Structure
IdentificationMore
[Name]

1,3-Dihydroxyadamantane
[CAS]

5001-18-3
[Synonyms]

1,3-ADAMANTANDIOL
1,3-ADAMANTANEDIOL
1,3-DIHYDROXYADAMANTANE
ADAMANTANE-1,3-DIOL
AKOS BC-0470
TRICYCLO[3.3.1.13,7]DECANE-1,3-DIOL
Adamantanediol
1,3-Admantane-dimethanol
1,3-ADMANTANE
1,3-ADAMANTANEDIOL 98+%
1,3-Adamantanediol ,98.50%
1,3-Adamantanediol ,98.5%
1,3-Adamantadiol
[EINECS(EC#)]

218-362-5
[Molecular Formula]

C10H16O2
[MDL Number]

MFCD00154013
[Molecular Weight]

168.23
[MOL File]

5001-18-3.mol
Chemical PropertiesBack Directory
[Appearance]

white crystal
[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)
[form ]

Solid
[pka]

14?+-.0.40(Predicted)
[color ]

White to Off-White
[Detection Methods]

HPLC,NMR,MS
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29061990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Dichloromethane-->Acetic acid-->Petroleum ether-->Nitric acid-->Bromine-->1,4-Dioxane-->Iron-->Calcium carbonate-->Oxygen-->Sodium sulfide nonahydrate-->Silver nitrate-->Cobalt acetate-->Adamantane-->N-Hydroxyphthalimide
[Preparation Products]

5-Hydroxyadamantan-2-one-->AZADO
Hazard InformationBack Directory
[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]

Adamantane

281-23-2

2-Adamantanone

700-58-3

1-Adamantanol

768-95-6

1,3-Adamantanediol

5001-18-3

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
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Adamantanediol(5001-18-3)MS
1,3-Adamantanediol(5001-18-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5001-18-3(sigmaaldrich)
[TCI AMERICA]

1,3-Adamantanediol,>98.0%(GC)(5001-18-3)
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