Cas no 871362-79-7 (3-Methyl-4-trifluoromethoxyphenylboronic Acid)

3-Methyl-4-trifluoromethoxyphenylboronic acid is a versatile boronic acid derivative widely used in Suzuki-Miyaura cross-coupling reactions, a key method for forming carbon-carbon bonds in organic synthesis. The presence of the trifluoromethoxy (-OCF?) and methyl (-CH?) substituents on the phenyl ring enhances its reactivity and stability, making it valuable in pharmaceutical and agrochemical research. This compound exhibits excellent compatibility with various palladium catalysts, enabling efficient synthesis of complex biaryl structures. Its high purity and consistent performance ensure reliable results in demanding applications. The electron-withdrawing trifluoromethoxy group further contributes to its utility in designing bioactive molecules with improved metabolic stability.
3-Methyl-4-trifluoromethoxyphenylboronic Acid structure
871362-79-7 structure
Product Name:3-Methyl-4-trifluoromethoxyphenylboronic Acid
CAS No:871362-79-7
MF:C8H8BF3O3
MW:219.953533172607
MDL:MFCD11504858
CID:842382
PubChem ID:46739138
Update Time:2025-11-07

3-Methyl-4-trifluoromethoxyphenylboronic Acid Chemical and Physical Properties

Names and Identifiers

    • (3-Methyl-4-(trifluoromethoxy)phenyl)boronic acid
    • [3-methyl-4-(trifluoromethoxy)phenyl]boronic acid
    • 3-METHYL-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID
    • 3-Methyl-4-trifluoromethoxyphenylboronic acid
    • B-[3-Methyl-4-(trifluoromethoxy)phenyl]boronic acid (ACI)
    • Boronic acid, [3-methyl-4-(trifluoromethoxy)phenyl]- (9CI)
    • 3-Methyl-4-trifluoromethoxybenzeneboronic acid
    • 871362-79-7
    • MFCD11504858
    • CS-0084606
    • D74539
    • SCHEMBL641972
    • BS-25846
    • (3-Methyl-4-(trifluoromethoxy)phenyl)boronicacid
    • AKOS015841997
    • 3-Methyl-4-trifluoromethoxyphenylboronic acid, AldrichCPR
    • SY268999
    • DTXSID40674769
    • EN300-5478155
    • 3-Methyl-4-trifluoromethoxyphenylboronic Acid
    • MDL: MFCD11504858
    • Inchi: 1S/C8H8BF3O3/c1-5-4-6(9(13)14)2-3-7(5)15-8(10,11)12/h2-4,13-14H,1H3
    • InChI Key: SSYRQCUQKJTPDJ-UHFFFAOYSA-N
    • SMILES: FC(OC1C(C)=CC(B(O)O)=CC=1)(F)F

Computed Properties

  • Exact Mass: 220.05200
  • Monoisotopic Mass: 220.0518588g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • PSA: 49.69000
  • LogP: 0.57340

3-Methyl-4-trifluoromethoxyphenylboronic Acid Security Information

  • Hazard Category Code: 43
  • Safety Instruction: 36/37

3-Methyl-4-trifluoromethoxyphenylboronic Acid Pricemore >>

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Additional information on 3-Methyl-4-trifluoromethoxyphenylboronic Acid

Market Research and Analysis Report on 3-Methyl-4-Trifluoromethoxyphenylboronic Acid (CAS No. 871362-79-7)

The compound 3-Methyl-4-Trifluoromethoxyphenylboronic Acid, identified by the CAS number 871362-79-7, has emerged as a significant player in the field of chemical biology and drug discovery. This boronic acid derivative is widely utilized in Suzuki-Miyaura coupling reactions, a cornerstone of modern organic synthesis, enabling the construction of complex aromatic systems with high precision.

Recent advancements in medicinal chemistry have highlighted the importance of trifluoromethoxy groups in modulating pharmacokinetic properties, such as metabolic stability and bioavailability. The presence of this group in 3-Methyl-4-Trifluoromethoxyphenylboronic Acid makes it an attractive building block for the development of novel therapeutic agents targeting various disease states, including cancer, inflammation, and central nervous system disorders.

The global market for specialty chemicals, particularly those employed in drug discovery and development, has witnessed steady growth driven by increasing investments in pharmaceutical R&D. The demand for high-quality boronic acids like 3-Methyl-4-Trifluoromethoxyphenylboronic Acid is further bolstered by the rise of continuous-flow chemistry and automation in synthetic processes, which enhance efficiency and scalability.

From a supply chain perspective, key players in the chemical manufacturing sector are actively optimizing production strategies to meet the surging demand for this compound. Strategic partnerships between research institutions and industry leaders are fostering innovation, ensuring a steady supply of this critical intermediate while maintaining adherence to stringent quality control standards.

In conclusion, 3-Methyl-4-Trifluoromethoxyphenylboronic Acid (CAS No. 871362-79-7) occupies a pivotal position in the contemporary landscape of chemical biology and drug development. Its unique chemical properties and versatility in synthetic applications position it as a valuable asset for researchers and manufacturers alike, contributing to the advancement of novel therapeutics and chemical entities.

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