Description

4-(Methylcarbamoyl)benzeneboronic acid (CAS No. 121177-82-0) is a high-purity boronic acid derivative with the molecular formula C₈H₁₀BNO₃. This compound is widely utilized in organic synthesis, pharmaceutical research, and materials science due to its versatile reactivity as a boronic acid. It serves as a critical building block in Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds for complex molecular architectures. The methylcarbamoyl functional group enhances its solubility and stability, making it suitable for aqueous and organic phase reactions. Available in various packaging options, this product is rigorously tested for purity (typically ≥95%) and consistency, ensuring reliable performance in sensitive applications. Ideal for researchers and industrial chemists seeking a robust reagent for advanced synthetic methodologies.

Properties

• CAS Number: 121177-82-0
• Complexity: 178
• IUPAC Name: [4-(methylcarbamoyl)phenyl]boronic acid
• InChI: InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
• InChI Key: UWKSYZHFTGONHY-UHFFFAOYSA-N
• Exact Mass: 179.0753733
• Molecular Formula: C8H10BNO3
• Molecular Weight: 178.98
• SMILES: B(C1=CC=C(C=C1)C(=O)NC)(O)O
• Topological: 69.6
• Monoisotopic Mass: 179.0753733
• Synonyms: 4-(METHYLCARBAMOYL)BENZENEBORONIC ACID, 691-949-5, 4-(N-Methylaminocarbonyl)phenylboronic acid, 121177-82-0, 4-(methylcarbamoyl)phenylboronic acid, [4-(methylcarbamoyl)phenyl]boronic Acid, (4-(methylcarbamoyl)phenyl)boronic acid, MFCD03788427, Boronic acid, [4-[(methylamino)carbonyl]phenyl]-, 4-(N-Methylaminocarbonyl)phenylboronicacid, 4-[(methylamino)carbonyl]phenylboronic acid, SCHEMBL247671, DTXSID10378525, UWKSYZHFTGONHY-UHFFFAOYSA-N, SBB071064, 4-(methyl carbamoyl)phenylboronic acid, AKOS006228815, AB16009, CS-W022019, PS-9450, 4-(N-methylcarbamoyl)phenylboronic acid, FM140334, SY006669, DB-006554, 4-(N-methylaminocarbonyl)phenyl boronic acid, M3056, [4-(N-methylaminocarbonyl)phenyl]boronic acid, {4-[(methylamino)carbonyl]phenyl}boronic acid, EN300-6740657, 4-(N-Methylaminocarbonyl)phenylboronic acid, AldrichCPR, Z1171974290, 4-(Methylcarbamoyl)phenylboronic Acid (contains varying amounts of Anhydride), 4-(N-Methylaminocarbonyl)phenylboronic acid(contains varying amounts of Anhydride)

4-(Methylcarbamoyl)benzeneboronic acid is primarily employed in palladium-catalyzed cross-coupling reactions to synthesize biaryl compounds for pharmaceuticals and agrochemicals. It also functions as a key intermediate in the development of enzyme inhibitors and receptor modulators. Its stability under mild conditions makes it suitable for combinatorial chemistry and high-throughput screening. Additionally, this boronic acid derivative is used in sensor development due to its affinity for diols and other biologically relevant molecules.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (87.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.