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Thermo Scientific Chemicals
beta-Cyclodextrin hydrate
CAS: 68168-23-0 | C42H70O35 | 1134.99 g/mol
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化學識別
CAS68168-23-0
IUPAC Name5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Molecular FormulaC42H70O35
InChI KeyWHGYBXFWUBPSRW-UHFFFAOYSA-N
SMILESOCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
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規格
規格表
規格表Appearance (Color)White
FormCrystals or powder or crystalline powder
Identification (FTIR)Conforms
Water Content (Karl Fischer Titration)5.0-15.0%
Optical Rotation+155° to +167° (c=1 in water on dried substance)
beta-Cyclodextrin hydrate forms clathrates. Produces a water-soluble complex with dansyl chloride for the fluorescent labeling of proteins. It is used in pharmaceutical research, as pharmaceutical intermediates and also as chemical reagents.
This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.
Applications
beta-Cyclodextrin hydrate forms clathrates. Produces a water-soluble complex with dansyl chloride for the fluorescent labeling of proteins. It is used in pharmaceutical research, as pharmaceutical intermediates and also as chemical reagents.
Solubility
Slightly soluble in water (18.5 g/L at 25°C).
Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.
beta-Cyclodextrin hydrate forms clathrates. Produces a water-soluble complex with dansyl chloride for the fluorescent labeling of proteins. It is used in pharmaceutical research, as pharmaceutical intermediates and also as chemical reagents.
Solubility
Slightly soluble in water (18.5 g/L at 25°C).
Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents.
RUO – Research Use Only
General References:
- Thomas Steiner; Gertraud Koellner. Crystalline .beta.-Cyclodextrin hydrate at various humidities: Fast, continuous and reversible dehydration studied by X-ray diffraction. J. Am. Chem. Soc. 1994, 116, (12),5122-5128
- Christian Betzel; Wolfram Saenger; Brian E.Hingerty; George M.Brown. Topography of cyclodextrin inclusion complexes, part 20. Circular and flip-flop hydrogen bonding in .beta.-cyclodextrin undecahydrate: a neutron diffraction study. J. Am. Chem. Soc. 1984, 106, (24),7545-7557
- Has been used to influence regioselectivity in Diels-Alder reactions: J. Chem. Soc., Chem. Commun., 971 (1995); for reaction scheme, see 2,6-Dimethyl-p-benzoquinone, A11342. Encapsulation of aniline and N-substituted anilines allows regioselective bromination: Tetrahedron, 52, 3487 (1996). Catalyzes the Boc protection of amines with Di-tert-butyl dicarbonate, A14708 under neutral, aqueous conditions: Synlett, 1110 (2006).
- For a brief of uses as a supramolecular catayst in organic synthesis, see: Synlett, 175 (2007).