Cas no 876189-19-4 (4-Methoxycarbonyl-3,5-dimethylphenylboronic acid)

4-Methoxycarbonyl-3,5-dimethylphenylboronic acid is a boronic acid derivative featuring a methoxycarbonyl substituent and two methyl groups on the aromatic ring. This compound is commonly employed as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl structures with high selectivity and efficiency. The electron-withdrawing methoxycarbonyl group enhances reactivity, while the methyl substituents contribute to steric stability. Its well-defined structure and consistent purity make it suitable for pharmaceutical and materials science applications, particularly in constructing complex organic frameworks. The product is typically supplied as a crystalline solid with good shelf stability under standard storage conditions.
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid structure
876189-19-4 structure
Product Name:4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
CAS No:876189-19-4
MF:C10H13BO4
MW:208.018823385239
MDL:MFCD11111428
CID:709891
PubChem ID:12163652
Update Time:2025-06-07

4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid
    • (4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid
    • 4-METHOXYCARBONYL-3,5-DIMETHYLPHENYLBORONIC ACID
    • Benzoic acid,4-borono-2,6-dimethyl-, 1-methyl ester (9CI)
    • [4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid
    • PubChem15783
    • OR360047
    • AX8098529
    • A842297
    • (4-methoxycarbonyl-3,5-dimethyl-phenyl)boronic acid
    • 2,6-Dimethyl-4-(dihydroxyboryl)benzoic acid meth
    • 3,5-Dimethyl-4-methoxycarbonyl-phenyl-1-boronic acid
    • 4-(METHOXYCARBONYL)-3,5-DIMETHYLPHENYLBORONIC ACID
    • (4-(Methoxycarbonyl)-3 pound not5-dimethylphenyl)boronic acid
    • BKB18919
    • SY110456
    • EN300-6197619
    • C76881
    • MFCD11111428
    • DS-13877
    • AKOS015852120
    • CS-0175760
    • DTXSID90478956
    • J-515662
    • 876189-19-4
    • SCHEMBL15956516
    • (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronicacid
    • 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
    • MDL: MFCD11111428
    • Inchi: 1S/C10H13BO4/c1-6-4-8(11(13)14)5-7(2)9(6)10(12)15-3/h4-5,13-14H,1-3H3
    • InChI Key: PZRQLKHCAJPJDQ-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C(C)=CC(B(O)O)=CC=1C)=O

Computed Properties

  • Exact Mass: 208.09100
  • Monoisotopic Mass: 208.0906891g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 220
  • 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: 66.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: No data available
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 366.6±52.0 °C at 760 mmHg
  • Flash Point: 175.5±30.7 °C
  • Refractive Index: 1.525
  • PSA: 66.76000
  • LogP: -0.23020

4-Methoxycarbonyl-3,5-dimethylphenylboronic 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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4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:876189-19-4)4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
Order Number:A842297
Stock Status:in Stock
Quantity:250mg/1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:56
Price ($):161.0/329.0/994.0

Additional information on 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid

4-Methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4): An Overview of Its Properties, Applications, and Recent Research Advances

4-Methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound is characterized by its unique structure, which includes a boronic acid moiety and a methoxycarbonyl group, making it a valuable reagent in various chemical reactions.

The boronic acid functionality in 4-methoxycarbonyl-3,5-dimethylphenylboronic acid is particularly noteworthy due to its ability to participate in Suzuki-Miyaura coupling reactions. These reactions are widely used in the synthesis of biologically active molecules, pharmaceuticals, and advanced materials. The presence of the methoxycarbonyl group further enhances the reactivity and functional versatility of this compound.

Recent research has highlighted the potential of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound can be effectively used as a building block in the synthesis of anti-inflammatory drugs. The researchers found that derivatives of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid exhibited potent anti-inflammatory activity in both in vitro and in vivo models.

In addition to its applications in medicinal chemistry, 4-methoxycarbonyl-3,5-dimethylphenylboronic acid has also shown promise in the field of materials science. A recent study published in the Journal of Materials Chemistry A explored the use of this compound in the synthesis of metal-organic frameworks (MOFs). The researchers reported that MOFs derived from 4-methoxycarbonyl-3,5-dimethylphenylboronic acid exhibited excellent gas adsorption properties and could be used for environmental remediation applications.

The physical and chemical properties of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid have been extensively studied. It is a white crystalline solid with a melting point ranging from 120 to 122°C. The compound is soluble in common organic solvents such as methanol, ethanol, and dichloromethane but is only slightly soluble in water. These solubility characteristics make it suitable for use in a wide range of synthetic protocols.

The stability of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid under various conditions is another important aspect to consider. The compound is stable at room temperature and can be stored for extended periods without significant degradation. However, it is sensitive to air and moisture, which can lead to oxidation and hydrolysis reactions. Therefore, it is recommended to handle and store this compound under inert conditions to maintain its integrity.

In terms of synthetic methods, several efficient routes have been developed for the preparation of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid. One common approach involves the boronation of 4-methoxycarbonyl-3,5-dimethylbenzene using borane-tetrahydrofuran complex followed by hydrolysis. Another method involves the reaction of 4-methoxycarbonyl-3,5-dimethylbenzene with diborane to form the corresponding boronate ester, which can then be hydrolyzed to yield the desired boronic acid.

The safety profile of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid has also been evaluated. While it is generally considered safe for laboratory use when proper handling protocols are followed, it is important to note that boronic acids can pose some health risks if not handled correctly. Therefore, appropriate personal protective equipment (PPE) such as gloves and goggles should be worn during handling.

In conclusion, 4-methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4) is a highly valuable compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique structural features and reactivity make it an essential reagent for researchers working on the development of new drugs and advanced materials. Ongoing research continues to uncover new possibilities for this versatile compound, further solidifying its importance in modern chemistry.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:876189-19-4)4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
A842297
Purity:99%/99%/99%
Quantity:250mg/1g/5g
Price ($):161.0/329.0/994.0
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