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Potassium 3-(trifluoromethyl)phenyltrifluoroborate is a chemical compound that consists of a potassium cation and a trifluoroborate anion, with a 3-(trifluoromethyl)phenyl group attached to the boron atom. It is a versatile reagent in organic synthesis, particularly in the preparation of chiral amino phospho acids and their derivatives.

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  • 816457-58-6 Structure
  • Basic information

    1. Product Name: Potassium 3-(trifluoromethyl)phenyltrifluoroborate
    2. Synonyms: Potassium 3-(trifluoromethyl)phenyltrifluoroborate;potassium:trifluoro-[3-(trifluoromethyl)phenyl]boranuide
    3. CAS NO:816457-58-6
    4. Molecular Formula: C7H4BF6K
    5. Molecular Weight: 252.0063792
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 816457-58-6.mol
  • Chemical Properties

    1. Melting Point: 228.2-230.7°C
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Potassium 3-(trifluoromethyl)phenyltrifluoroborate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Potassium 3-(trifluoromethyl)phenyltrifluoroborate(816457-58-6)
    11. EPA Substance Registry System: Potassium 3-(trifluoromethyl)phenyltrifluoroborate(816457-58-6)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 816457-58-6(Hazardous Substances Data)

816457-58-6 Usage

Uses

Used in Pharmaceutical Industry:
Potassium 3-(trifluoromethyl)phenyltrifluoroborate is used as a reagent for the preparation of chiral amino phospho acids or their derivatives. This is achieved through a one-pot 1,4-addition/diastereoselective protonation process, involving an organometallic compound, a transition metal catalyst, and a chiral ligand. The resulting chiral amino phospho acids and their derivatives are valuable building blocks in the synthesis of pharmaceuticals and agrochemicals, as they can exhibit biological activity and selectivity.
Used in Organic Synthesis:
In the field of organic synthesis, Potassium 3-(trifluoromethyl)phenyltrifluoroborate serves as a useful reagent for the introduction of the trifluoromethyl group onto aromatic rings. This can lead to the formation of various trifluoromethylated compounds with potential applications in materials science, agrochemicals, and pharmaceuticals. The trifluoromethyl group is known to enhance the lipophilicity, metabolic stability, and biological activity of molecules, making it an attractive modification for drug design.

Check Digit Verification of cas no

The CAS Registry Mumber 816457-58-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,1,6,4,5 and 7 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 816457-58:
(8*8)+(7*1)+(6*6)+(5*4)+(4*5)+(3*7)+(2*5)+(1*8)=186
186 % 10 = 6
So 816457-58-6 is a valid CAS Registry Number.

816457-58-6 Well-known Company Product Price

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  • Aldrich

  • (773603)  Potassium 3-(trifluoromethyl)phenyltrifluoroborate  97%

  • 816457-58-6

  • 773603-1G

  • 602.55CNY

  • Detail
  • Aldrich

  • (773603)  Potassium 3-(trifluoromethyl)phenyltrifluoroborate  97%

  • 816457-58-6

  • 773603-5G

  • 2,342.34CNY

  • Detail

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