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Chemistry
Organic Building Blocks
Aryls
Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
Chemistry
Organic Building Blocks
Synthetic Reagents
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Fluorinated Building Blocks Trifluoromethyls Inorganic Salts

[ CAS No. 79060-88-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 79060-88-1
Chemical Structure| 79060-88-1
Structure of 79060-88-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 79060-88-1 ]

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Product Citations

Product Citations      Expand+

Long Li ; Carlin Thompson ; Xuewei Wang DOI:

Abstract: Paper-based ion-selective optodes (ISOs) allow for low-cost ion measurements using widely accessible optical detectors such as smartphones, representing an attractive analytical platform for medical testing and environmental monitoring. Previously reported paper-based ISOs rely on plasticized PVC membranes or PVC/plasticizer-free adsorption layers containing hydrophobic sensing chemicals. In this paper, we studied a new format of paper-based ISOs, in which a plasticizer phase containing sensing chemicals is deposited onto paper without using a hydrophobic polymer like PVC. Compared to ISOs without plasticizers and polymers, the plasticizer-based ISOs show much higher pH sensitivity when using chromoionophore I and tetrakis[3,5-bis(trifluoromethyl)phenyl]borate as the sensing chemicals. When the sensing layer further contains a solid ionophore with high molecular rigidity, the plasticizer-based ISOs for cations also exhibit enhanced sensitivity than the plasticizer-free ISOs. However, when the ionophore is a liquid at room temperature or has a long chain, the plasticizer-based and plasticizer-free ISOs have comparable responses because the ionophore behaves as a pseudo-plasticizer. Compared to ISOs with both plasticizers and polymers, the elimination of hydrophobic polymers like PVC makes inkjet printing more efficient and preserves the capillary action of the porous paper. By using the newly launched Samba cartridge with smaller nozzles, the plasticizer-based and polymer-free optodes for , , and ions are prepared by inkjet printing for the first time. In an example application, the inkjet-printed plasticizer-based and polymer-free ISOs are used for colorimetric measurements of urine .

Keywords: Ionophore ; Ion-selective optode ; paper ; Inkjet printing ; Colorimetric

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Chen, Zhi-Hao ; Daugulis, Olafs ; Brookhart, Maurice DOI:

Abstract: A well-defined Pd complex [(tBuXPhos)Pd(Me)(BArf)] bearing a bulky monophosphine ligand was synthesized and fully characterized. X-ray diffraction anal. shows that the 1,3,5-triisopropylaryl group of the dialkylbiaryl phosphine ligand exhibits a weak η6-interaction with the Pd(II) center. This catalyst exhibits excellent functional group tolerance and polymerizes propargyl esters containing benzoyl and acetyl groups, propargyl Me ether, propargyl alc., benzyl acetylene, and Ph acetylene to yield polymers with Mn values at 5-15 kDa with monomodal mol. weight distributions between ∼1.4 and 2.1.

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George F. Riegel ; Keiji Takashige ; Alex Lovstedt , et al. DOI:

Abstract: Several charge-containing TADDOL salts were synthesized and used as organocatalysts in asymmetric Diels–Alder and hetero-Diels–Alder reactions. Their catalytic activity was found to exceed that of a noncharged analog while maintaining or improving upon the enantioselectivity. The enhanced activities of the TADDOL salts enabled them to act as presumed hydrogen bond donor catalysts in the Diels–Alder and hetero-Diels–Alder reactions of 1,3-cyclohexadiene with methyl vinyl ketone at 40°C and 2-phenoxy-1,3-butadiene with ethyl glyoxylate at room temperature, respectively. Given the ionic nature of these charge-activated catalysts, it also proved possible to recycle and reuse the TADDOL without chromatography or the need for a recrystallization.

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Product Details of [ 79060-88-1 ]

CAS No. :79060-88-1 MDL No. :MFCD00043323
Formula : C32H12BF24Na Boiling Point : -
Linear Structure Formula :NaB((CF3)2(C6H3))4 InChI Key :LTGMONZOZHXAHO-UHFFFAOYSA-N
M.W : 886.20 Pubchem ID :23681909
Synonyms :
Chemical Name :Sodium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate

Calculated chemistry of [ 79060-88-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 58
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.25
Num. rotatable bonds : 12
Num. H-bond acceptors : 24.0
Num. H-bond donors : 0.0
Molar Refractivity : 150.07
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -1.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 14.17
Log Po/w (WLOGP) : 20.43
Log Po/w (MLOGP) : 11.02
Log Po/w (SILICOS-IT) : 13.7
Consensus Log Po/w : 11.86

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -13.78
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -14.26
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -16.38
Solubility : 0.0 mg/ml ; 4.17e-17 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.59

Safety of [ 79060-88-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 79060-88-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 79060-88-1 ]

[ 79060-88-1 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 179268-55-4 ]
  • [ 79060-88-1 ]
  • [ 13406-29-6 ]
  • [ 849519-15-9 ]
Reference： [1]Inorganic Chemistry,2005,vol. 44,p. 1248 - 1262
  • 2
  • chloro(1,5-cyclooctadiene)rhodium(I) dimer [ No CAS ]
  • [ 133463-88-4 ]
  • [ 79060-88-1 ]
  • [Rh(1,5-COD)((S,S)-4,4'-dibenzyl-2,2'-bis(2-oxazoline))](BAr(F))) [ No CAS ]
Reference： [1]Organometallics,2006,vol. 25,p. 1749 - 1754
  • 3
  • [ 72287-26-4 ]
  • [ 79060-88-1 ]
  • [Pd(1,1'-bis(diphenylphosphino)ferrocene)(μ-Cl)]2[tetrakis(3,5-bis(trifluoromethyl)phenyl)borate]2 [ No CAS ]
Reference： [1]Organometallics,2013,vol. 32,p. 5966 - 5979
  • 4
  • [ 215788-65-1 ]
  • [ 79060-88-1 ]
  • [Pd(dippf)(μ-Cl)]2[tetrakis(3,5-bis(trifluoromethyl)phenyl)borate]2 [ No CAS ]
Reference： [1]Organometallics,2013,vol. 32,p. 5966 - 5979
  • 5
  • [ 79060-88-1 ]
  • [ 55894-18-3 ]
  • allyltributylphosphonium tetrakis-(3,5-bis(trifluoromethyl)phenyl)borate [ No CAS ]
Reference： [1]New Journal of Chemistry,2015,vol. 39,p. 8560 - 8568
  • 6
  • [ 15471-17-7 ]
  • [Mo{N-2,6-(Me2)C6H3}(CHCMe2Ph)(1,3-dimesitylimidazolin-2-ylidene)(OTf)(OC6F5)] [ No CAS ]
  • [ 79060-88-1 ]
  • [Mo(N-2,6-(Me2)C6H3)(CHCMe2Ph)(1,3-dimesitylimidazolin-2-ylidene)(OC6F5)(pyridiniumpropanesulfonate)][tetrakis(3,5-bis(trifluoromethyl)phenyl)borate] [ No CAS ]
Reference： [1]Chemistry - A European Journal,2017,vol. 23,p. 6398 - 6405
  • 7
  • [ 6832-21-9 ]
  • [ 79060-88-1 ]
  • C11H17N*C32H12BF24(1-)*H(1+) [ No CAS ]
Reference： [1]Journal of the American Chemical Society,2017,vol. 139,p. 13126 - 13140
  • 8
  • [ 142-08-5 ]
  • [ 13938-94-8 ]
  • [ 79060-88-1 ]
  • [Rh(PPh3)2(2-pyridone)(CO)][tetrakis(3,5-bis(trifluoromethyl)phenyl)borate] [ No CAS ]
Reference： [1]Inorganic Chemistry,2018,vol. 57,p. 1148 - 1157
  • 9
  • [ 63060-94-6 ]
  • [ 79060-88-1 ]
  • C11H15NO2*C32H12BF24(1-)*H(1+) [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% In chloroform; at 35℃; for 24h; General procedure: A mixture of amino acid ester hydrochloride (1.0 equiv., 100 mg) and sodiumtetrakis [3,5-bis(trifluoromethyl)phenyl] borate (NaBArF) (1.1 equiv.) was added tochloroform (40 mL) in a 100 mL round-bottom flask. This was then stirred at 35 for 24h. The progress of the reaction was monitored by taking an aliquot from the clear solution.The anion exchange reaction was deemed complete when no further precipitation(AgCl) was observed upon addition of an aqueous solution of AgNO3 to the aliquot. Theresulting white precipitate was removed by filtering twice. The solvent of the filtrate wassubjected to rotary evaporation under reduced pressure. The resultant yellow viscoussolid was dried in a vacuum at 45 for two days, to generate the target products.
Reference： [1]Molecules,2021,vol. 26

Tags: 79060-88-1 synthesis path| 79060-88-1 SDS| 79060-88-1 COA| 79060-88-1 purity| 79060-88-1 application| 79060-88-1 NMR| 79060-88-1 COA| 79060-88-1 structure

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Inorganic Salts

Technical Information

• Alkyl Halide Occurrence • Reactions of Benzene and Substituted Benzenes
Historical Records

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