Description

4-Methoxycarbonylphenylboronic acid (CAS No. 99768-12-4) is a high-purity boronic acid derivative with the molecular formula C₈H₉BO₄. This compound, also known as Methyl 4-boronobenzoate, is a versatile building block in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its stable boronic acid moiety and ester functional group. Its IUPAC name is (4-methoxycarbonylphenyl)boronic acid, and it is characterized by its white to off-white crystalline powder appearance.

Our product is rigorously tested for quality, ensuring ≥95% purity (HPLC) and low levels of heavy metals and other impurities, making it ideal for pharmaceutical research, material science, and catalysis. It is supplied in airtight packaging under inert conditions to ensure stability and longevity. Suitable for use in anhydrous reactions, this reagent is a valuable asset for researchers developing novel aryl-aryl bond formations or designing advanced molecular frameworks.

Properties

• CAS Number: 99768-12-4
• Complexity: 175
• IUPAC Name: (4-methoxycarbonylphenyl)boronic acid
• InChI: InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3
• InChI Key: PQCXFUXRTRESBD-UHFFFAOYSA-N
• Exact Mass: 180.0593889
• Molecular Formula: C8H9BO4
• Molecular Weight: 179.97
• SMILES: B(C1=CC=C(C=C1)C(=O)OC)(O)O
• Topological: 66.8
• Monoisotopic Mass: 180.0593889
• Synonyms: 4-Methoxycarbonylphenylboronic acid, 4-(Methoxycarbonyl)phenylboronic acid, 619-459-9, 99768-12-4, Methyl 4-boronobenzoate, (4-(Methoxycarbonyl)phenyl)boronic acid, (4-Methoxycarbonylphenyl)boronic acid, 4-(Methoxycarbonyl)benzeneboronic Acid, [4-(methoxycarbonyl)phenyl]boronic acid, 4-Methoxycarbonylbenzeneboronic acid, 4-(methoxycabonyl)phenylboronic acid, p-(methoxycarbonyl)phenylboronic acid, MFCD01632203, 4-carbomethoxyphenylboronic acid, CHEMBL1824169, 4-methoxycarbonyl phenyl boronic acid, Methyl 4-(Dihydroxyboranyl)Benzoate, SCHEMBL140644, p-carbomethoxyphenyl boronic acid, DTXSID40370259, p-methoxycarbonylphenylboronic acid, 4-(carbomethoxy)phenylboronic acid, 4-methoxycarbonyl phenylboronic acid, 4-methoxycarbonyl-phenylboronic acid, 4-methoxycarbonylphenyl boronic acid, 4-methoxycarbonylphenyl-boronic acid, ALBB-006125, BCP03529, 4-methoxycarbonyl-phenyl boronic acid, 4-methoxycarbonyl-phenyl-boronic acid, BDBM50615761, SBB048077, STK503726, (4-methoxycarbonylphenyl)-boronic acid, 4-(methoxycarbonyl) phenylboronic acid, 4-(methoxycarbonyl)-phenylboronic acid, 4-(methoxycarbonyl)phenyl-boronic acid, AKOS000264853, (4-(Methoxycarbonyl)phenyl)boronicacid, 4-(Methoxycarbonyl)phenyl boronic acid, AB09470, AC-2895, AS-2263, CS-W003977, FM32235, HY-W003977, (4-methoxycarbonyl-phenyl) boronic acid, 4-(methoxycarbonyl) phenyl boronic acid, NCGC00249475-01, (4-(methoxycarbonyl)phenyl) boronic acid, [4-(methoxy carbonyl)phenyl]boronic acid, [4-(methoxycarbonyl)-phenyl]boronic acid, BP-11412, SY003283, DB-025026, {4-[(methyloxy)carbonyl]phenyl}boronic acid, M1907, EN300-68541, Z1095162714, 4-Methoxycarbonylphenylboronic(contains varying amounts of Anhydride)

Application

4-Methoxycarbonylphenylboronic acid is widely used in palladium-catalyzed cross-coupling reactions, such as Suzuki-Miyaura couplings, to synthesize biaryl compounds for pharmaceuticals and agrochemicals. It serves as a key intermediate in the preparation of liquid crystals and organic electronic materials due to its aromatic boronic ester functionality. Researchers also employ it in proteomics and bioconjugation studies, leveraging its selective reactivity with diols and other nucleophiles.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (93.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (87.5%): 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

• Acute Tox. 4 (25%)
• Acute Tox. 4 (12.5%)
• Skin Irrit. 2 (93.8%)
• Eye Irrit. 2 (93.8%)
• Acute Tox. 4 (12.5%)
• 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.