(Piperidinium-1-ylmethyl)trifluoroborate
Product Information
Molecular Formula
C6H13BF3N
Molecular Weight
166.98
Description
(Piperidinium-1-ylmethyl)trifluoroborate can be used as a reagent in the palladium-catalyzed Suzuki-cross coupling reaction with aryl and heteroaryl halides/mesylates to prepare methylpiperidinyl derivatives.
Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling and cross coupling with mesylated phenol derivativesOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Organotrifluoroborate involved in Suzuki-Miyaura cross-coupling and cross coupling with mesylated phenol derivativesOrganotrifluoroborates as versatile and stable boronic acid surrogates.
Synonyms
trifluoro(piperidin-1-ium-1-ylmethyl)boranuide; (Piperidinium-1-ylmethyl)trifluoroborate internal salt; Piperidinium-1-ylmethyltrifluoroboronanion; trifluoro(piperidin-1-ium-1-ylmethyl)borate; trifluoro[(piperidin-1-ium-1-yl)methyl]boranuide; Trifluoro[(piperidin-1-ium-1-yl)methyl]borate(1-); (Piperidinium-1-ylmethyl)trifluoroborate, internal salt
IUPAC Name
trifluoro(piperidin-1-ium-1-ylmethyl)boranuide
SMILES
[B-](C[NH+]1CCCCC1)(F)(F)F
InChI
InChI=1S/C6H12BF3N/c8-7(9,10)6-11-4-2-1-3-5-11/h1-6H2/q-1/p+1
InChI Key
PFMNVTAJBBIDDU-UHFFFAOYSA-O
Melting Point
134-149 °C
Flash Point
Not applicable
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
167.1093141 g/mol
Monoisotopic Mass
167.1093141 g/mol
Topological Polar Surface Area
4.4Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
120
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-108020547-A | A kind of method for measuring organic three potassium fluoborates salt content | 2017-12-17 |
