Description

2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride (CAS: 380430-55-7) is a high-purity boronic acid derivative widely used in organic synthesis, pharmaceutical research, and materials science. With the molecular formula C₈H₁₁BClNO₄, this compound serves as a versatile intermediate for Suzuki-Miyaura cross-coupling reactions, enabling the construction of complex biaryl structures. The hydrochloride salt form enhances stability and solubility, making it ideal for controlled reactions in both academic and industrial settings. This product is rigorously tested for purity (≥95% by HPLC) and is supplied as a white to off-white crystalline powder. Suitable for use under inert conditions, it is packaged in amber glass vials to ensure long-term stability. Store at 2-8°C in a dry environment to maintain optimal performance.

Properties

• CAS Number: 380430-55-7
• Complexity: 212
• IUPAC Name: (2-amino-4-methoxycarbonyl-phenyl)boronic acid;hydrochloride
• InChI: InChI=1S/C8H10BNO4.ClH/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5;/h2-4,12-13H,10H2,1H3;1H
• InChI Key: IDUSDMZTKZZVAW-UHFFFAOYSA-N
• Exact Mass: 231.0469657
• Molecular Formula: C8H11BClNO4
• Molecular Weight: 231.44
• SMILES: B(C1=C(C=C(C=C1)C(=O)OC)N)(O)O.Cl
• Topological: 92.8
• Monoisotopic Mass: 231.0469657
• Synonyms: 2-AMINO-4-(METHOXYCARBONYL)BENZENEBORONIC ACID HYDROCHLORIDE, 640-588-1, 380430-55-7, (2-Amino-4-(methoxycarbonyl)phenyl)boronic acid hydrochloride, 2-amino-4-(methoxycarbonyl)phenylboronic acid hydrochloride, 2-Amino-4-methoxycarbonylphenylboronic acid, HCl, (2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID HYDROCHLORIDE, 2-Amino-4-methoxycarbonylphenylboronic acid hydrochloride, (2-amino-4-methoxycarbonylphenyl)boronic acid;hydrochloride, 2-Amino-4-methoxycarbonylphenylboronic acid HCl, MFCD02258941, Benzoicacid, 3-amino-4-borono-, 1-methyl ester, hydrochloride (1:1), [2-amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride, (2-borono-5-methoxycarbonylphenyl)azanium;chloride, SCHEMBL629029, METHYL 3-AMINO-4-BORONOBENZOATE HYDROCHLORIDE, (2-amino-4-methoxycarbonylphenyl)boronic acid,hydrochloride, DTXSID10586007, IDUSDMZTKZZVAW-UHFFFAOYSA-N, SBB065037, AKOS015890427, AB11700, GS-5648, SY102534, CS-0041821, H10637, EN300-7358569, Z3234877885, (2-Amino-4-(methoxycarbonyl)phenyl)boronicacidhydrochloride, (2-AMINO-4-METHOXYCARBONYLPHENYL)BORONIC ACID HCL, 2-amino-4-(methoxycarbonyl)phenyl-boronic acid hydrochloride, 2-amino-4-methoxycarbonylphenyl-boronic acid hydrochloride salt, 2-amino-4-methoxycarbonylphenylboronic acid hydrochloride salt, [2-Amino-4-(methoxycarbonyl)phenyl]boronic acid–hydrogen chloride (1/1), [2-amino-4-(methoxycarbonyl)phenyl]boronic acid hydrochloride,[2-amino-4-(methoxycarbonyl)phenyl]boronic acid, 2-Amino-4-(methoxycarbonyl)phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride), 2-Amino-4-methoxycarbonyl phenylboronic Acid Hydrochloride (contains varying amounts of Anhydride)

2-Amino-4-(methoxycarbonyl)benzeneboronic acid hydrochloride is primarily employed in palladium-catalyzed cross-coupling reactions to synthesize bioactive compounds and advanced materials. Researchers utilize it in the development of pharmaceuticals, particularly for creating boron-containing drug candidates targeting proteases and kinases. Its methoxycarbonyl group further allows derivatization into esters or amides, expanding its utility in medicinal chemistry. This reagent is also valuable in material science for designing organic electronic components.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (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.