Description

4-(Methoxycarbonyl)-2-nitrophenylboronic Acid (contains varying amounts of Anhydride) is a high-purity boronic acid derivative with the molecular formula C₈H₈BNO₆ and CAS number 85107-55-7. This compound, also known by its IUPAC name (4-methoxycarbonyl-2-nitrophenyl)boronic acid, is a valuable building block in organic synthesis and pharmaceutical research. The product may contain varying amounts of anhydride, as indicated. It is characterized by its nitrophenyl and methoxycarbonyl functional groups, which enhance its reactivity in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed processes. Suitable for use in research laboratories, this compound is provided with detailed analytical documentation, including ¹H NMR, ¹³C NMR, and HPLC purity data. Store in a cool, dry place under inert conditions to maintain stability.

Properties

• CAS Number: 85107-55-7
• Complexity: 278
• IUPAC Name: (4-methoxycarbonyl-2-nitro-phenyl)boronic acid
• InChI: InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3
• InChI Key: SFEJGHJCGQNFQC-UHFFFAOYSA-N
• Exact Mass: 225.0444671
• Molecular Formula: C8H8BNO6
• Molecular Weight: 224.97
• SMILES: B(C1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])(O)O
• Topological: 113
• Monoisotopic Mass: 225.0444671
• Synonyms: 4-(Methoxycarbonyl)-2-nitrophenylboronic Acid (contains varying amounts of Anhydride), 672-929-5, 4-Methoxycarbonyl-2-nitrophenylboronic acid, 85107-55-7, (4-methoxycarbonyl-2-nitrophenyl)boronic acid, 4-(methoxycarbonyl)-2-nitrophenylboronic acid, MFCD01632202, (4-(methoxycarbonyl)-2-nitrophenyl)boronic acid, (4-methoxycarbonyl-2-nitro-phenyl)boronic Acid, [4-(methoxycarbonyl)-2-nitrophenyl]boronic acid, 4-(methoxycarbonyl)-2-nitrobenzeneboronic acid, 4-METHOXYCARBONYL-2-NITROPHENYLBORONICACID, SCHEMBL13011536, DTXSID60378494, SFEJGHJCGQNFQC-UHFFFAOYSA-N, SBB064119, AKOS015852129, AB09468, CS-W013054, AS-14924, SY033434, DB-028952, M2854, EN300-103373, H10825, A810127, A841208, 4-methoxycarbonyl-2-nitrophenylboronic acid, AldrichCPR, Z1364948057

Application

4-(Methoxycarbonyl)-2-nitrophenylboronic Acid is widely used as a key intermediate in the synthesis of complex organic molecules, particularly in pharmaceutical and agrochemical research. Its boronic acid moiety enables efficient cross-coupling reactions, such as Suzuki-Miyaura couplings, to form biaryl structures. The nitrophenyl group provides additional reactivity for further functionalization, making it valuable in medicinal chemistry. Researchers also utilize this compound in the development of sensors and materials science applications due to its unique electronic properties.

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 (50%): 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. 2 (100%)
• STOT SE 3 (50%)

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