Cas no 129112-21-6 ((2-(Diethylcarbamoyl)phenyl)boronic acid)

(2-(Diethylcarbamoyl)phenyl)boronic acid is a boronic acid derivative featuring a diethylcarbamoyl substituent at the ortho position of the phenyl ring. This compound is primarily utilized as a versatile intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of biaryl structures with high efficiency. The electron-withdrawing carbamoyl group enhances the stability of the boronic acid moiety, improving handling and storage characteristics. Its well-defined reactivity profile makes it valuable in pharmaceutical and agrochemical research, particularly for constructing complex molecular scaffolds. The compound exhibits good solubility in common organic solvents, facilitating its use in homogeneous catalytic systems. Careful purification ensures consistent performance in demanding synthetic applications.
(2-(Diethylcarbamoyl)phenyl)boronic acid structure
129112-21-6 structure
Product Name:(2-(Diethylcarbamoyl)phenyl)boronic acid
CAS No:129112-21-6
MF:C11H16BNO3
MW:221.060643196106
MDL:MFCD01318988
CID:137061
Update Time:2025-08-05

(2-(Diethylcarbamoyl)phenyl)boronic acid Chemical and Physical Properties

Names and Identifiers

    • (2-(Diethylcarbamoyl)phenyl)boronic acid
    • 2-(Diethylamino)Carbonylbenzeneboronic Acid
    • 2-(Diethylcarbamoyl)benzeneboronic acid
    • 2-(N,N-Diethylaminocarbonyl)phenylboronic acid
    • Boronicacid, B-[2-[(diethylamino)carbonyl]phenyl]-
    • [2-(diethylcarbamoyl)phenyl]boronic acid
    • RARECHEM AH PB 0055
    • N,N-Diethyl 2-boronobenzamide
    • N,N-DIETHYL 4-BORONOBENZAMIDE
    • 2-(N,N-DIETHYLCARBAMOYL)PHENYLBORONIC ACID
    • 2-[(DIETHYLAMINO)CARBONYL]BENZENEBORONIC ACID
    • MDL: MFCD01318988
    • Inchi: 1S/C11H16BNO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
    • InChI Key: TULUDWZVHWOWHZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1B(O)O)N(CC)CC

Computed Properties

  • Exact Mass: 221.12200
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5

Experimental Properties

  • Melting Point: 64-70
  • PSA: 60.77000
  • LogP: -0.15160

(2-(Diethylcarbamoyl)phenyl)boronic acid Security Information

(2-(Diethylcarbamoyl)phenyl)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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(2-(Diethylcarbamoyl)phenyl)boronic acid Production Method

(2-(Diethylcarbamoyl)phenyl)boronic acid Suppliers

Amadis Chemical Company Limited
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(CAS:129112-21-6)(2-(Diethylcarbamoyl)phenyl)boronic acid
Order Number:A888908
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 11:26
Price ($):168.0

(2-(Diethylcarbamoyl)phenyl)boronic acid Related Literature

Additional information on (2-(Diethylcarbamoyl)phenyl)boronic acid

Introduction to (2-(Diethylcarbamoyl)phenyl)boronic Acid and Its Significance in Modern Chemical Research

The compound with the CAS number 129112-21-6, known as (2-(Diethylcarbamoyl)phenyl)boronic acid, represents a fascinating molecule with substantial implications in the field of chemical biology and pharmaceutical development. Boronic acids, a class of organoboron compounds, have garnered significant attention due to their unique chemical properties and broad applications. Specifically, (2-(Diethylcarbamoyl)phenyl)boronic acid has emerged as a critical intermediate in various synthetic protocols, particularly in the context of Suzuki-Miyaura cross-coupling reactions, which are pivotal for constructing complex organic molecules.

In recent years, the pharmaceutical industry has witnessed a surge in the use of boronic acids for the development of novel therapeutic agents. The ability of boronic acids to form stable complexes with diols and other functional groups has made them indispensable tools in drug discovery. For instance, (2-(Diethylcarbamoyl)phenyl)boronic acid has been employed in the synthesis of protease inhibitors, which are essential for treating a variety of diseases, including cancer and infectious disorders. The diethylcarbamoyl moiety in its structure contributes to its stability and reactivity, making it an ideal candidate for further functionalization.

The significance of this compound is further underscored by its role in materials science. Boronic acids have been explored as components in self-healing materials and smart polymers due to their ability to undergo reversible coordination with metals and other small molecules. This property has opened up new avenues for developing advanced materials with tunable properties. Recent studies have demonstrated that (2-(Diethylcarbamoyl)phenyl)boronic acid can be incorporated into polymer matrices to create materials that exhibit remarkable self-repair capabilities, thereby extending the lifespan and functionality of various products.

Moreover, the compound has found applications in the field of biocatalysis. Boronic acids can act as ligands for transition metals, facilitating catalytic reactions that are otherwise difficult to achieve under mild conditions. This has led to the development of novel biocatalytic systems that are more efficient and environmentally friendly. Researchers have utilized (2-(Diethylcarbamoyl)phenyl)boronic acid as a ligand in asymmetric synthesis, enabling the production of enantiomerically pure compounds that are crucial for pharmaceutical applications.

The versatility of (2-(Diethylcarbamoyl)phenyl)boronic acid is also reflected in its use as a building block for more complex molecules. Its boronic acid moiety allows for facile coupling with various organic substrates through cross-coupling reactions, while the diethylcarbamoyl group provides additional sites for further functionalization. This dual functionality has made it a valuable reagent in synthetic organic chemistry. For example, it has been used in the construction of heterocyclic compounds, which are prevalent in many biologically active molecules.

In conclusion, (2-(Diethylcarbamoyl)phenyl)boronic acid (CAS no. 129112-21-6) is a multifaceted compound with broad applications across multiple disciplines. Its role in pharmaceutical development, materials science, and biocatalysis highlights its importance as a chemical intermediate. As research continues to uncover new applications for boronic acids, compounds like this one are poised to play an even greater role in advancing scientific and technological innovation.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:129112-21-6)(2-(Diethylcarbamoyl)phenyl)boronic acid
A888908
Purity:99%
Quantity:1g
Price ($):168.0
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