Cas no 603122-52-7 (Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate)

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate structure
603122-52-7 structure
Product Name:Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No:603122-52-7
MF:C14H18BFO4
MW:280.099728107452
MDL:MFCD16996314
CID:836012
PubChem ID:22171528
Update Time:2025-10-29

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • 3-Fluoro-4-methoxycarbonylphenylboronic acid, pinacol ester
    • Benzoic acid, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
    • METHYL 2-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
    • 2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
    • BENZOIC ACID,2-FLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,METHYL ESTER
    • 3-Fluoro-4-(methoxycarbonyl)phenylboronic Acid Pinacol Ester
    • DTXSID80623195
    • KWUUXUUPAMIRBW-UHFFFAOYSA-N
    • AKOS015998693
    • CS-0007611
    • methyl 2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • P11980
    • MFCD16996314
    • BS-28985
    • Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, AldrichCPR
    • 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester
    • SY104565
    • (3-FLUORO-4-(METHOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTER
    • EN300-322645
    • 3-Fluoro-4-methoxycarbonylphenylboronic acid pinacol ester
    • Z2044754766
    • 603122-52-7
    • MB20470
    • SCHEMBL516413
    • Methyl2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • DB-087533
    • MDL: MFCD16996314
    • Inchi: 1S/C14H18BFO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-10(11(16)8-9)12(17)18-5/h6-8H,1-5H3
    • InChI Key: KWUUXUUPAMIRBW-UHFFFAOYSA-N
    • SMILES: FC1=C(C(=O)OC)C=CC(B2OC(C)(C)C(C)(C)O2)=C1

Computed Properties

  • Exact Mass: 280.12800
  • Monoisotopic Mass: 280.1282174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 369
  • 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: 44.8?2

Experimental Properties

  • PSA: 44.76000
  • LogP: 1.91150

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xn

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Pricemore >>

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Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Production Method

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:603122-52-7)Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Order Number:A869005
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:15
Price ($):452.0

Additional information on Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate: A Comprehensive Overview

Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, commonly referenced by its CAS No. 603122-52-7, is a versatile organic compound that has garnered significant attention in the fields of organic synthesis and materials science. This compound is characterized by its unique structure, which incorporates a benzoate ester group substituted with a fluorine atom and a boron-containing dioxaborolane moiety. The presence of these functional groups makes it an invaluable tool in modern chemical research and industrial applications.

The synthesis of Methyl 2-fluoro... has been extensively studied due to its role as a key intermediate in the construction of complex molecular architectures. Recent advancements in cross-coupling reactions have highlighted its utility as a boronic ester precursor for Suzuki-Miyaura couplings. This reaction is pivotal in the formation of biaryl structures, which are widely used in pharmaceuticals and agrochemicals. For instance, researchers have employed this compound to synthesize novel heterocyclic frameworks that exhibit promising biological activities against various pathogens.

In addition to its role in organic synthesis, Methyl 2-fluoro... has found applications in the development of advanced materials. Its ability to undergo controlled polymerization under specific conditions has led to the creation of functional polymers with tailored properties. These materials are being explored for use in optoelectronic devices and sensors due to their unique electronic characteristics.

Recent studies have also focused on the environmental impact and sustainability aspects of this compound. Green chemistry initiatives have prompted researchers to investigate more eco-friendly synthesis routes for Methyl 2-fluoro.... These efforts include the use of renewable feedstocks and catalytic systems that minimize waste generation. Such approaches align with global sustainability goals while maintaining the high quality and performance standards expected from this compound.

The versatility of Methyl 2-fluoro... extends to its potential in drug discovery programs. Its structural features make it an ideal candidate for exploring new therapeutic agents targeting various disease states. For example, derivatives of this compound have shown promise as inhibitors of kinases involved in cancer progression.

In conclusion, Methyl 2-fluoro... stands as a testament to the ingenuity and innovation within the chemical sciences. Its diverse applications across multiple disciplines underscore its importance as a foundational material in contemporary research and industry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:603122-52-7)Methyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
A869005
Purity:99%
Quantity:25g
Price ($):452.0
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