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Di-tert-butyl(methyl)phosphonium tetrafluoroborate

Catalog Number
ACM870777303-1
Product Name
Di-tert-butyl(methyl)phosphonium tetrafluoroborate
CAS
870777-30-3 / 479094-62-7
  • Product Overview
  • Usage
Synonyms
(t-Bu)2PMeHBF4; Bis(1,1-dimethylethyl)methylphosphine tetrafluoroborate
IUPAC Name
ditert-butyl(methyl)phosphanium;tetrafluoroborate
Molecular Weight
248.05
Molecular Formula
C9H22BF4P
Canonical SMILES
[B-](F)(F)(F)F.CC(C)(C)[PH+](C)C(C)(C)C;
InChI
BRDLRXCAHKUWJS-UHFFFAOYSA-O
InChI Key
InChI=1S/C9H21P.BF4/c1-8(2,3)10(7)9(4,5)6;2-1(3,4)5/h1-7H3;/q;-1/p+1
Melting Point
>230 °C(lit.)
Purity
98%
Appearance
Solid
Complexity
108
Covalently-Bonded Unit Count
2
Exact Mass
248.149g/mol
H-Bond Acceptor
5
Heavy Atom Count
15
Isomeric SMILES
[B-](F)(F)(F)F.CC(C)(C)[PH+](C)C(C)(C)C
Monoisotopic Mass
248.149g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
0A^2
Application
Di-tert-butyl(methyl)phosphonium tetrafluoroborate is a versatile white crystalline powder used in the synthesis of precursors for nantenine analogs with a C4 phenyl substituent, which are known for their affinity to the 5-HT2B receptor. Additionally, it plays a crucial role in the palladium-catalyzed borylation of primary alkyl electrophiles, such as bromides, iodides, or tosylates, utilizing bis(pinacolato)diboron or bis(neopentyl glycolato)diboron as the boron source.
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