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1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate

Catalog Number
ACM109705148-1
Product Name
1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
Structure
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CAS
109705-14-8
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Synonyms
1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate, >=95%; 1-Fluoro-sym-collidinium tetrafluoroborate; A802076; PC4377WE; ZX-AP008325; DTXSID30381379; TR-002079; AKOS015912581; ACMC-209tpy; AC1MCV93;
IUPAC Name
1-fluoro-2,4,6-trimethylpyridin-1-ium;tetrafluoroborate;
Molecular Weight
226.985g/mol
Molecular Formula
C8H11BF5N;
Canonical SMILES
[B-](F)(F)(F)F.CC1=CC(=[N+](C(=C1)C)F)C;
InChI
InChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1;
InChI Key
RRNLYYDDEUOXBB-UHFFFAOYSA-N;
Complexity
123
Covalently-Bonded Unit Count
2
Exact Mass
227.09g/mol
H-Bond Acceptor
6
Heavy Atom Count
15
Monoisotopic Mass
227.09g/mol
Topological Polar Surface Area
3.9A^2
Application
1-Fluoro-2,4,6-trimethylpyridinium tetrafluoroborate is designed to serve as a versatile reactant in various chemical transformations. Its primary applications include use in Pd(II)-catalyzed para-selective C-H arylation, where it facilitates the selective modification of aromatic compounds. Additionally, it plays a crucial role in fluorination reactions, introducing fluorine atoms into organic molecules, and in aryl trifluoromethylation reactions, which are essential for incorporating trifluoromethyl groups into aromatic rings. These capabilities make it an indispensable tool in advancing synthetic methodologies.
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