(Piperidinium-1-ylmethyl)trifluoroborate

Inquiry

Molecular Formula:

C6H13BF3N

Molecular Weight:

166.98

CAS Number:

1268340-93-7

Catalog Number:

1268340-93-7

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.

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

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

167.1093141 g/mol

Monoisotopic Mass

167.1093141 g/mol

Topological Polar Surface Area

4.4Å²

Heavy Atom Count

Formal Charge

Complexity

120

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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