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Boron trifluoride tetrahydrofuran complex

Catalog Number
ACM462340
Product Name
Boron trifluoride tetrahydrofuran complex
Structure
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CAS
462-34-0
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Synonyms
AKOS017344331; PubChem7062; MFCD00040372; ZINC169747800; trifluoro(tetrahydro-1H-furanium-1-yl)borate; 462-34-0; Boron trifluoride-tetrahydrofuran complex, BF{3} 45.5%; Boron trifluoride tetrahydrofuran complex;
IUPAC Name
trifluoro(oxolan-1-ium-1-yl)boranuide;
Molecular Weight
139.912g/mol
Molecular Formula
C4H8BF3O;
Canonical SMILES
[B-]([O+]1CCCC1)(F)(F)F;
InChI
InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2;
InChI Key
XYMZNNGTHKHCJH-UHFFFAOYSA-N;
Storage
Store below +30°C.
Complexity
96.5
Covalently-Bonded Unit Count
1
Exact Mass
140.062g/mol
H-Bond Acceptor
4
Heavy Atom Count
9
Monoisotopic Mass
140.062g/mol
Topological Polar Surface Area
1A^2
Application
Boron trifluoride tetrahydrofuran complex serves as a versatile reagent in organic synthesis, primarily used for its ability to facilitate various chemical reactions. It plays a critical role in the deoxofluorination of alcohols and carbonyls, enabling the transformation of these functionalities into their corresponding fluorinated derivatives. Additionally, it is a key component in the synthesis of methacrylate-PEG-methacrylate-boron trifluoride self-doped gel polymer electrolytes, which are important for advanced material applications. The complex is also employed in the hydroboration-oxidation of divinylferrocene, contributing to its manipulation in synthetic processes. Furthermore, it is essential in the synthesis of biologically active molecules, including NK1 receptor antagonists, complex polyketide natural products, and selective serotonin reuptake inhibitors, highlighting its significance in the development of pharmaceuticals and natural product synthesis.
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