Description

6-(Methoxycarbonyl)pyridine-3-boronic acid (CAS: 1072945-86-8) is a high-purity boronic acid derivative with the molecular formula C₇H₈BNO₄, widely used in Suzuki-Miyaura cross-coupling reactions and other palladium-catalyzed transformations. This compound features a pyridine ring substituted with a methoxycarbonyl group at the 6-position and a boronic acid moiety at the 3-position, making it a versatile building block for pharmaceutical and materials science research. It is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in synthetic applications. Proper storage under inert conditions (2-8°C, argon) is recommended to maintain stability. Ideal for researchers developing novel heterocyclic compounds, catalysts, or bioactive molecules.

Properties

• CAS Number: 1072945-86-8
• Complexity: 187
• IUPAC Name: (6-methoxycarbonyl-3-pyridyl)boronic acid
• InChI: InChI=1S/C7H8BNO4/c1-13-7(10)6-3-2-5(4-9-6)8(11)12/h2-4,11-12H,1H3
• InChI Key: OJRWQJNSMWIFMD-UHFFFAOYSA-N
• Exact Mass: 181.0546379
• Molecular Formula: C7H8BNO4
• Molecular Weight: 180.96
• SMILES: B(C1=CN=C(C=C1)C(=O)OC)(O)O
• Topological: 79.7
• Monoisotopic Mass: 181.0546379
• Synonyms: 6-(Methoxycarbonyl)pyridine-3-boronic acid, 800-631-9, 1072945-86-8, (6-(Methoxycarbonyl)pyridin-3-yl)boronic acid, 2-(METHYLCARBOXY)PYRIDINE-5-BORONIC ACID, (6-methoxycarbonylpyridin-3-yl)boronic acid, [6-(methoxycarbonyl)pyridin-3-yl]boronic acid, MFCD09800559, 2-(Methylcarboxy)pyridine-5-boronicacid, 6-(METHOXYCARBONYL)PYRIDIN-3-YLBORONIC ACID, (6-methoxycarbonyl-3-pyridyl)boronic acid, 2-(METHOXYCARBONYL)PYRIDINE-5-BORONIC ACID, SCHEMBL364090, DTXSID00670585, OJRWQJNSMWIFMD-UHFFFAOYSA-N, AKOS006329260, AB52578, 2-methoxycarbonylpyridine-5-boronic acid, 6-(Methylcarboxy)pyridine-3-boronic acid, AS-39097, SY066254, DB-059602, 6-(methoxycarbonyl)pyridine-3-ylboronic acid, CS-0082390, (6-(methoxycarbonyl)pyridin-3-yl)boronicacid, EN300-722368, {6-[(methyloxy)carbonyl]-3-pyridinyl}boronic acid, 2-(methylcarboxy)pyridine-5-boronic acid, AldrichCPR, 6-(Methoxycarbonyl)pyridin-3-ylboronic acid, methyl 5-boronopyridine-2-carboxylate

Application

6-(Methoxycarbonyl)pyridine-3-boronic acid is a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and functional materials via Suzuki-Miyaura couplings. It enables the introduction of pyridine-carboxylate motifs into complex molecules, enhancing drug-like properties such as solubility and binding affinity. Researchers also utilize it to construct conjugated polymers for optoelectronic applications. Its reactivity with aryl halides under mild conditions makes it valuable for combinatorial chemistry and high-throughput screening.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Dam. 1 (50%)
• STOT SE 3 (100%)

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