Potassium allyltrifluoroborate - ≥95% , CAS No.233664-53-4

CAS: 233664-53-4 Cat. No.: P138535 Molecular Weight: 147.98 EC Number: 678-439-8 PubChem CID: 23664277

GRADE & PURITY ≥95%

Synonyms

potassium;trifluoro(prop-2-enyl)boranuide | POTASSIUMALLYLTRIFLUOROBORATE | J-524001 | POTASSIUM TRIFLUORO(PROP-2-EN-1-YL)BORANUIDE | Borate(1-), trifluoro-2-propen-1-yl-, potassium, (T-4)- | P1480 | AKOS013014117 | A935201 | AB31929 | TVPZAMJXLCDMIT-UHFF

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used as organotrifluoroborate involved in Catalytic allylboration,Stereoselective nucleophilic addition,Pd-catalyzed heterocyclizations,Oxidation reactions and Oxidative Mannich reactions,Cross-coupling reactions.

Specifications

Synonyms

potassium;trifluoro(prop-2-enyl)boranuide | POTASSIUMALLYLTRIFLUOROBORATE | J-524001 | POTASSIUM TRIFLUORO(PROP-2-EN-1-YL)BORANUIDE | Borate(1-), trifluoro-2-propen-1-yl-, potassium, (T-4)- | P1480 | AKOS013014117 | A935201 | AB31929 | TVPZAMJXLCDMIT-UHFF

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: [B-](CC=C)(F)(F)F.[K+]
• IUPAC Name: potassium;trifluoro(prop-2-enyl)boranuide
• InChIKey: TVPZAMJXLCDMIT-UHFFFAOYSA-N
• INCHI: 1S/C3H5BF3.K/c1-2-3-4(5,6)7;/h2H,1,3H2;/q-1;+1
• Isomeric SMILES: [B-](CC=C)(F)(F)F.[K+]
• WGK Germany: 3
• PubChem CID: 23664277
• Molecular Weight: 147.98
• Reaxy-Rn: 8356918

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Boronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Boronic acid derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid derivatives
• Alternative Parents: Alkylhaloboranes Organic metalloid salts Organic metal halides Organic potassium salts Monoalkylboranes Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylhaloborane - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organic metalloid moeity - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as boronic acid derivatives. These are compounds comprising any derivative of the boronic acid functional group, with the general structure RB(X)Y (R=alkyl, aryl; X,Y= any O, N, Hal residue).
• External Descriptors: Not available

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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Hygroscopic
• Molecular Weight: 147.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 148.007 Da
• Monoisotopic Mass: 148.007 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 69.400
• 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

XLogP3

References

1. Gao Liang, Zheng Minghao, Liu Haiyi, Xiao Jun, Gong Tianhao, Liu Kunming, Li Juanhua, Liu Jinbiao.  (2023)  A novel HBI-based ratiometric fluorescent probe for rapid detection of trifluoroborate.  RSC Advances,  13  (34): (23812-23817).  [PMID:37564257] [10.1039/D3RA04474B]