Description

3-(Methoxycarbonyl)benzeneboronic acid (CAS No. 99769-19-4) is a high-purity boronic acid derivative with the molecular formula C₈H₉BO₄. This compound, also known as (3-methoxycarbonylphenyl)boronic acid, is a valuable building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a boronic acid group and a methoxycarbonyl substituent, makes it an essential reagent for Suzuki-Miyaura cross-coupling reactions, enabling the formation of carbon-carbon bonds in complex molecule synthesis. Ideal for researchers and scientists, our product is rigorously tested for quality, ensuring consistent performance in your experiments. Available in various quantities to suit your laboratory needs.

Properties

• CAS Number: 99769-19-4
• Complexity: 183
• IUPAC Name: (3-methoxycarbonylphenyl)boronic acid
• InChI: InChI=1S/C8H9BO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5,11-12H,1H3
• InChI Key: ALTLCJHSJMGSLT-UHFFFAOYSA-N
• Exact Mass: 180.0593889
• Molecular Formula: C8H9BO4
• Molecular Weight: 179.97
• SMILES: B(C1=CC(=CC=C1)C(=O)OC)(O)O
• Topological: 66.8
• Monoisotopic Mass: 180.0593889
• Synonyms: 3-(Methoxycarbonyl)benzeneboronic Acid, 671-671-0, 3-Methoxycarbonylphenylboronic acid, 99769-19-4, 3-(Methoxycarbonyl)phenylboronic acid, (3-methoxycarbonylphenyl)boronic acid, (3-(methoxycarbonyl)phenyl)boronic acid, Methyl 3-boronobenzoate, MFCD02093046, [3-(methoxycarbonyl)phenyl]boronic acid, 3-methoxycarbonyl phenyl boronic acid, 3-carbomethoxy-phenylboronic acid, methyl 3-(dihydroxyboranyl)benzoate, m-(methoxycarbonyl)phenylboronic acid, SCHEMBL20989, 3-carbomethoxyphenylboronic acid, DTXSID20370459, 3-methoxycarbonyl phenylboronic acid, 3-methoxycarbonyl-phenylboronic acid, 3-Methoxycarbonylbenzeneboronic acid, 3-methoxycarbonylphenyl boronic acid, 3-methoxycarbonylphenyl-boronic acid, ALBB-006126, BCP23041, 3-(Methoxycarbonyl)phenylboronicacid, 3-methoxycarbonyl-phenyl boronic acid, 3-methyoxycarbonylphenyl boronic acid, SBB048078, STK503727, (3-methoxycarbonylphenyl) boronic acid, 3-(methoxycarbonyl) phenylboronic acid, 3-methoxy carbonyl phenyl boronic acid, AKOS000264854, m-(methoxycarbonyl)phenyl boronic acid, AB10721, AC-2894, AS-3095, CS-W004091, HY-W004091, [3-(methoxycarbonyl)]phenylboronic acid, 3-(methoxycarbonyl)-phenyl boronic acid, NCGC00249489-01, 3-(CARBOMETHOXY)PHENYLBORONIC ACID, BP-13292, SY003282, DB-028540, {3-[(methyloxy)carbonyl]phenyl}boronic acid, M1906, EN300-755145, Z1203162066, 3-Methoxycarbonylphenylboronic acid,contains varying amounts of Anhydride

Application

3-(Methoxycarbonyl)benzeneboronic acid is widely used in pharmaceutical and materials science research as a key intermediate in Suzuki-Miyaura cross-coupling reactions. It facilitates the synthesis of biaryl compounds, which are crucial in drug discovery and development. This reagent is also employed in the preparation of advanced organic materials, such as polymers and liquid crystals. Its stability and reactivity make it a preferred choice for constructing complex molecular architectures.

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.