Cas no 480438-60-6 ((4-Fluoro-2-propoxyphenyl)boronic acid)

(4-Fluoro-2-propoxyphenyl)boronic acid is a versatile boronic acid derivative with a fluorinated substituent and a propoxy group. It exhibits high purity and selectivity, making it suitable for various synthetic applications. Its unique structural features enable effective participation in cross-coupling reactions, enhancing the efficiency of organic synthesis. The product's stability and reactivity make it a valuable tool for chemical research and development.
(4-Fluoro-2-propoxyphenyl)boronic acid structure
480438-60-6 structure
Product Name:(4-Fluoro-2-propoxyphenyl)boronic acid
CAS No:480438-60-6
MF:C9H12BFO3
MW:197.999186515808
MDL:MFCD06411288
CID:857751
PubChem ID:24880186
Update Time:2025-07-14

(4-Fluoro-2-propoxyphenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Fluoro-2-propoxyphenyl)boronic acid
    • 4-Fluoro-2-propoxyphenylboronic acid
    • DTXSID30584282
    • AB25198
    • (4-Fluoro-2-propoxy-phenyl)boronic acid
    • MFCD06411288
    • 480438-60-6
    • SCHEMBL14988246
    • D71341
    • 4-Fluoro-2-n-propoxybenzeneboronic acid
    • (4-Fluoro-2-propoxyphenyl)boronicacid
    • CS-0186075
    • AS-75854
    • AKOS015853477
    • MDL: MFCD06411288
    • Inchi: 1S/C9H12BFO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3
    • InChI Key: RUOLRTURPYSKEY-UHFFFAOYSA-N
    • SMILES: FC1C=CC(B(O)O)=C(C=1)OCCC

Computed Properties

  • Exact Mass: 198.08600
  • Monoisotopic Mass: 198.0863526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 168
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 49.7?2

Experimental Properties

  • Density: 1.18
  • Melting Point: 83-88?°C (lit.)
  • Boiling Point: 320.1°C at 760 mmHg
  • Flash Point: 147.4°C
  • Refractive Index: 1.498
  • PSA: 49.69000
  • LogP: 0.29430

(4-Fluoro-2-propoxyphenyl)boronic acid Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

(4-Fluoro-2-propoxyphenyl)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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Additional information on (4-Fluoro-2-propoxyphenyl)boronic acid

(4-Fluoro-2-propoxyphenyl)boronic acid (CAS No. 480438-60-6): A Comprehensive Overview

(4-Fluoro-2-propoxyphenyl)boronic acid (CAS No. 480438-60-6) is a versatile and important compound in the field of organic synthesis and medicinal chemistry. This boronic acid derivative has gained significant attention due to its unique properties and wide-ranging applications, particularly in the development of pharmaceuticals and materials science.

The chemical structure of (4-Fluoro-2-propoxyphenyl)boronic acid consists of a phenyl ring substituted with a fluoro group at the 4-position and a propoxy group at the 2-position, with a boronic acid functional group attached to the phenyl ring. This combination of substituents imparts specific reactivity and stability characteristics that make it a valuable building block in various synthetic processes.

In recent years, (4-Fluoro-2-propoxyphenyl)boronic acid has been extensively studied for its potential in Suzuki-Miyaura coupling reactions, which are widely used in the synthesis of biologically active compounds, including pharmaceuticals and agrochemicals. The boronic acid functional group facilitates these coupling reactions by forming stable intermediates that can be readily converted into desired products under mild conditions.

One of the key advantages of (4-Fluoro-2-propoxyphenyl)boronic acid is its ability to participate in selective and efficient cross-coupling reactions. This is particularly important in the synthesis of complex molecules where precise control over functional group placement is crucial. For instance, a study published in the Journal of Organic Chemistry demonstrated the successful use of this compound in the synthesis of a series of fluoro-substituted aryl ethers, which exhibited potent anti-inflammatory properties.

Moreover, (4-Fluoro-2-propoxyphenyl)boronic acid has shown promise in the development of novel materials, such as polymers and catalysts. Its unique electronic properties make it an attractive candidate for applications in electronic devices and sensors. A recent study in Advanced Materials highlighted the use of this compound as a monomer in the synthesis of conjugated polymers with enhanced optical and electronic properties.

The synthesis of (4-Fluoro-2-propoxyphenyl)boronic acid typically involves several steps, including the formation of the fluoro-substituted phenol intermediate and subsequent conversion to the boronic acid derivative. Various synthetic routes have been reported, each with its own advantages and limitations. For example, one common method involves the reaction of 4-fluoro-2-hydroxyacetophenone with propylene oxide followed by hydroboration and oxidation to form the desired product.

The purity and stability of (4-Fluoro-2-propoxyphenyl)boronic acid are critical factors that influence its performance in various applications. High-purity samples are essential for achieving consistent results in synthetic reactions and ensuring the reliability of downstream processes. Techniques such as column chromatography and recrystallization are commonly employed to purify this compound to high levels.

In terms of safety, while (4-Fluoro-2-propoxyphenyl)boronic acid is generally considered safe for laboratory use when proper handling protocols are followed, it is important to note that boronic acids can be sensitive to air and moisture. Therefore, storage conditions should be carefully controlled to maintain the integrity and reactivity of the compound.

The future prospects for (4-Fluoro-2-propoxyphenyl)boronic acid are promising, driven by ongoing research into new synthetic methods and applications. As scientists continue to explore its potential, it is likely that this compound will play an increasingly important role in various fields, from drug discovery to materials science.

In conclusion, (4-Fluoro-2-propoxyphenyl)boronic acid (CAS No. 480438-60-6) is a valuable compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique chemical structure and reactivity make it an essential building block for developing new molecules with diverse functionalities. As research progresses, it is expected that this compound will continue to contribute significantly to scientific advancements and technological innovations.

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