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AI56033

7585-39-9 | Beta-cyclodextrin

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% in stock $13.00 $9.00 -   +
25g 98% in stock $16.00 $11.00 -   +
100g 98% in stock $20.00 $14.00 -   +
250g 98% in stock $26.00 $18.00 -   +
500g 98% in stock $30.00 $21.00 -   +
1kg 98% in stock $45.00 $31.00 -   +

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Description
Catalog Number: AI56033
Chemical Name: Beta-cyclodextrin
CAS Number: 7585-39-9
Molecular Formula: C42H70O35
Molecular Weight: 1134.9842
MDL Number: MFCD00150811
SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]3[C@H](O[C@H](O[C@@H]4[C@H](O[C@H](O[C@@H]5[C@H](O[C@H](O[C@H]1[C@@H]([C@H]2O)O)[C@H](O)[C@H]5O)CO)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]3O)CO

 

Computed Properties
Complexity: 1480  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 35  
Heavy Atom Count: 77  
Hydrogen Bond Acceptor Count: 35  
Hydrogen Bond Donor Count: 21  
Rotatable Bond Count: 7  
XLogP3: -15  

 

 

Upstream Synthesis Route 
  • ### Utilizing β-Cyclodextrin in Chemical SynthesisIn the realm of chemical synthesis, β-Cyclodextrin plays a pivotal role as a versatile and powerful tool. This cyclic oligosaccharide, composed of seven glucose units, has a unique truncated conical shape with a hydrophobic cavity and hydrophilic outer surface. Such structural characteristics enable β-Cyclodextrin to form inclusion complexes with a wide range of guest molecules, leading to various applications in chemical synthesis.### 1. Encapsulation and ProtectionOne primary application of β-Cyclodextrin in chemical synthesis is encapsulating and protecting reactive or sensitive molecules. By forming inclusion complexes with these guest molecules, β-Cyclodextrin shields them from the external environment, preserving their reactivity or stability during synthetic reactions.### 2. Solubilization and Stabilizationβ-Cyclodextrin also serves as a solubilizing agent in chemical synthesis. Its unique cavity structure allows hydrophobic molecules to be encapsulated, increasing their solubility in aqueous solutions. This property facilitates the manipulation and reaction of hydrophobic compounds that would otherwise be challenging to handle.### 3. Chiral Recognition and SelectivityIn enantioselective synthesis, β-Cyclodextrin demonstrates remarkable chiral recognition capabilities. The chiral cavity of β-Cyclodextrin can differentiate between enantiomers, selectively binding and influencing the stereochemistry of the guest molecules. This property is invaluable in achieving high levels of enantiomeric purity in chemical synthesis.### 4. Catalysis and Template EffectsFurthermore, β-Cyclodextrin can act as a catalyst or template in various synthetic reactions. By encapsulating reactants within its cavity, β-Cyclodextrin can enhance reaction rates, control regioselectivity, or induce specific conformational changes in the guest molecules, leading to tailored synthetic pathways and product outcomes.### 5. Environmental and Green Chemistry ApplicationsMoreover, β-Cyclodextrin's biocompatibility and environmentally friendly characteristics make it a suitable candidate for applications in green chemistry. Its ability to encapsulate and release molecules in a controlled manner can reduce waste generation, enhance reaction efficiency, and promote sustainable practices in chemical synthesis.### Conclusion:In conclusion, β-Cyclodextrin's unique structural attributes and diverse functionalities make it a versatile tool in chemical synthesis. From encapsulating and protecting molecules to catalyzing reactions and enabling chiral selectivity, β-Cyclodextrin's applications in synthesis are vast and impactful, contributing to the advancement of modern chemistry.
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