Cas no 909122-50-5 ((3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid)

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic 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. Its unique substitution pattern, featuring chloro, ethoxy, and fluoro groups, enables precise functionalization of aromatic systems, making it valuable in pharmaceutical and agrochemical research. The compound exhibits good stability under standard conditions and demonstrates high reactivity with various aryl halides, facilitating efficient synthesis of complex biaryl structures. Its electron-withdrawing and donating substituents enhance selectivity in coupling reactions, while the boronic acid moiety ensures compatibility with diverse catalytic systems. This reagent is particularly useful for constructing heterocyclic scaffolds and fine-tuning molecular properties in drug discovery.
(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid structure
909122-50-5 structure
Product Name:(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid
CAS No:909122-50-5
MF:C8H9BClFO3
MW:218.417665243149
MDL:MFCD15144702
CID:93201
PubChem ID:51358177
Update Time:2025-06-08

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid
    • 3-Chloro-4-Ethoxy-2-Fluorophenylboronic Acid
    • KSC668M0J
    • BSNGRABEOSVUSC-UHFFFAOYSA-N
    • FCH1388596
    • XF10011
    • PC412029
    • 2-Fluoro-3-chloro-4-ethoxy-boronic acid
    • BC000812
    • AB0027507
    • AX8212924
    • ST24020380
    • W9345
    • (3-Chloro-4-ethoxy-2-fluorophenyl)dihydroxyborane
    • 122C505
    • 2-FLUORO-3-
    • B-(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid (ACI)
    • Boronic acid, (3-chloro-4-ethoxy-2-fluorophenyl)- (9CI)
    • (3-Chloro-4-ethoxy-2-fluorophenyl)boronicacid
    • (3-chloro-4-ethoxy-2-fluoro-phenyl)boronic acid
    • SY030349
    • DB-078832
    • AS-55560
    • DTXSID50679922
    • SCHEMBL2880932
    • MFCD15144702
    • AC-22300
    • 3-chloro-4-ethoxy-2-fluorophenylboronic acid
    • AKOS015848470
    • 909122-50-5
    • CS-0151522
    • MDL: MFCD15144702
    • Inchi: 1S/C8H9BClFO3/c1-2-14-6-4-3-5(9(12)13)8(11)7(6)10/h3-4,12-13H,2H2,1H3
    • InChI Key: BSNGRABEOSVUSC-UHFFFAOYSA-N
    • SMILES: FC1C(B(O)O)=CC=C(OCC)C=1Cl

Computed Properties

  • Exact Mass: 218.03200
  • Monoisotopic Mass: 218.032
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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

Experimental Properties

  • PSA: 49.69000
  • LogP: 0.55760

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid Customs Data

  • HS CODE:2931900090
  • Customs Data:

    China Customs Code:

    2931900090

    Overview:

    2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%

    Summary:

    2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid Production Method

Additional information on (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid

Comprehensive Overview of (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid (CAS No. 909122-50-5)

(3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid (CAS No. 909122-50-5) is a highly versatile boronic acid derivative widely used in pharmaceutical research, organic synthesis, and material science. This compound belongs to the class of arylboronic acids, which are pivotal in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic chemistry. With its unique chloro, ethoxy, and fluoro substitutions, this boronic acid offers exceptional reactivity and selectivity, making it a valuable building block for drug discovery and advanced material development.

The growing interest in 909122-50-5 is driven by its applications in targeted drug delivery systems and bioconjugation techniques. Researchers are increasingly exploring its potential in cancer therapeutics, particularly in the design of small-molecule inhibitors and proteolysis-targeting chimeras (PROTACs). The compound’s ability to form stable covalent bonds with diols and other functional groups also makes it a key player in sensor development and diagnostic assays.

In the context of green chemistry, (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid aligns with the demand for sustainable synthetic routes. Its role in metal-free catalysis and biocompatible reactions has garnered attention, especially as the pharmaceutical industry shifts toward environmentally friendly processes. Recent studies highlight its utility in flow chemistry setups, where its stability and solubility profile enhance reaction efficiency.

From a commercial perspective, the compound’s high purity grades (e.g., >98%) are critical for GMP-compliant manufacturing. Suppliers often emphasize its low toxicity profile and compatibility with aqueous conditions, addressing concerns about safety and scalability. These attributes make it a preferred choice for high-throughput screening and combinatorial chemistry applications.

Emerging trends in AI-driven drug discovery have further amplified the relevance of CAS No. 909122-50-5. Computational models frequently incorporate its structural features to predict bioactivity and ADMET properties. Additionally, its use in DNA-encoded libraries (DELs) underscores its role in next-generation screening platforms.

For researchers seeking custom synthesis or bulk quantities, it’s essential to evaluate supplier reliability and analytical documentation. The compound’s NMR and HPLC data are typically provided to ensure batch-to-batch consistency, a critical factor for reproducible results in academic and industrial settings.

In summary, (3-Chloro-4-ethoxy-2-fluorophenyl)boronic acid (CAS No. 909122-50-5) represents a convergence of innovation, sustainability, and practical utility in chemical research. Its multifaceted applications—from precision medicine to smart materials—position it as a compound of enduring significance in the scientific community.

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