Tetrabutylammonium fluoride solution (TBAF solution) - 1.0 M in THF , CAS No.429-41-4

CAS: 429-41-4 Cat. No.: T106821 Formula: [CH₃(CH₂)₃]₄NF Molecular Weight: 261.46 Beilstein Registry Number: 3762762 EC Number: 207-057-2

GRADE & PURITY 1.0 M in THF

Synonyms

tetrabutylammonium fluride | 1-Butanaminium, N,N,N-tributyl-, fluoride | 1-Butanaminium, N,N,N-tributyl-, fluoride (1:1) | T1125 | Tetrabutyammonium fluoride | tetra butyl ammonium fluoride | tetrabuthylammonium fluoride | tetrabuthyl-ammonium fluoride |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant for preparation of: • Triple monoamine reuptake inhibitors as a new generation of antidepressants • Alcohols via hydrolysis of alkyl silyl ethers neutral pH in mixed organic-aqueous buffered solutions • Oligoribonucleotides with phosphonate-modified linkages • Aryl alkyl alcohols via Nozaki-Hiyama allylation catalyzed by chiral bipyridyldiol ligands and chromium trichloride • Conjugated dienoic acid esters using Suzuki coupling reactions • Macrocyclic o-aminobenzamide Hsp90 inhibitorwith antitumor activity • Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors • Anti-diabetic polyacetylenic glucosides Tetrabutylammonium fluoride (TBAF) can be used as a reagent: • For the deprotection of silyl and N-sulfonyl groups. • In the fluorination reactions. • To synthesize 2-substituted indoles by cyclization reaction of various 2-ethynylanilines with terminal alkynes using Pd catalyst. It can also be used as an activator in the synthesis of arylated or alkenylated alkynes by the coupling reaction of aryl and alkenyl halides with terminal alkynes in the presence of Pd catalyst.

Specifications

Synonyms

tetrabutylammonium fluride | 1-Butanaminium, N,N,N-tributyl-, fluoride | 1-Butanaminium, N,N,N-tributyl-, fluoride (1:1) | T1125 | Tetrabutyammonium fluoride | tetra butyl ammonium fluoride | tetrabuthylammonium fluoride | tetrabuthyl-ammonium fluoride |

Specifications & Purity

1.0 M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

508813011

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813011

Canonical Smiles

[F-].CCCC[N+](CCCC)(CCCC)CCCC

InChIKey

FPGGTKZVZWFYPV-UHFFFAOYSA-M

INCHI

1S/C16H36N.FH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.[F-]

WGK Germany

3

UN Number

1993

Packing Group

II

Molecular Weight

261.46

Beilstein

3762762

Reaxy-Rn

3570522

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• External Descriptors: fluoride salt - tetrabutylammonium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with terahydrofuran, acetonitrile, dimethyl sulfoxide and organic solvents.
• Sensitivity: Air and moisture sensitive
• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17℃
• Melt Point(°C): 62-63°C
• Molecular Weight: 261.459 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 261.283 Da
• Monoisotopic Mass: 261.283 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 116.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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