Description

4-Ethoxycarbonylphenylboronic acid (CAS No. 4334-88-7) is a high-purity boronic acid derivative with the molecular formula C₉H₁₁BO₄. This compound is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions, due to its excellent reactivity and stability under various conditions. The ethoxycarbonyl functional group enhances its versatility in constructing complex molecular architectures, making it a valuable reagent for pharmaceutical, agrochemical, and materials science research. Available in crystalline form, our product is rigorously tested to ensure ≥95% purity (HPLC) and is packaged under inert conditions to maintain integrity. Suitable for use in catalysis, medicinal chemistry, and polymer science, this boronic acid derivative is an essential tool for researchers seeking precision and reliability in their synthetic workflows.

Properties

• CAS Number: 4334-88-7
• Complexity: 187
• IUPAC Name: (4-ethoxycarbonylphenyl)boronic acid
• InChI: InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
• InChI Key: ZLNFACCFYUFTLD-UHFFFAOYSA-N
• Exact Mass: 194.0750390
• Molecular Formula: C9H11BO4
• Molecular Weight: 193.99
• SMILES: B(C1=CC=C(C=C1)C(=O)OCC)(O)O
• Topological: 66.8
• Monoisotopic Mass: 194.0750390
• Synonyms: 4-Ethoxycarbonylphenylboronic acid, 4334-88-7, 4-(ethoxycarbonyl)phenylboronic acid, DTXSID10370241, DTXCID50321277, 670-243-0, (4-Ethoxycarbonylphenyl)Boronic Acid, (4-(ethoxycarbonyl)phenyl)boronic acid, 4-(ethoxycarbonyl)benzeneboronic acid, MFCD02179441, Ethyl 4-boronobenzoate, Benzoic acid, 4-borono-, 1-ethyl ester, 4-Ethoxycarbonylbenzeneboronic acid, [4-(ethoxycarbonyl)phenyl]boronic acid, p-ethoxycarbonylphenylboronic acid, LA4EMV9J6S, SCHEMBL5122, 4-Athyloxycarbonylphenylboronsaure, ZLNFACCFYUFTLD-UHFFFAOYSA-N, 4-ethoxycarbonyl phenylboronic acid, 4-ethoxycarbonyl-phenylboronic acid, 4-ethoxycarbonylphenyl boronic acid, (4-Ethoxycarbonylphenyl)BoronicAcid, 4-ethoxycarbonyl phenyl boronic acid, 4-ethoxycarbonyl-phenyl boronic acid, SBB063240, (4-ethoxycarbonylphenyl) boronic acid, AKOS004119211, Benzoic acid, p-borono-, ethyl ester, 4-(2-ethoxycarbonyl)phenylboronic acid, 4-(ethoxycarbonyl)-phenyl boronic acid, AB11136, AS-2307, CS-W000930, FE22888, Benzoic acid, p-borono-, 1-ethyl ester, NCGC00249522-01, SY012740, {4-[(ethyloxy)carbonyl]phenyl}boronic acid, DB-028861, E0868, 4-Borono-benzoic acid 1-ethyl ester;p-Borono-benzoic acid 1-ethyl ester;4-Carboethoxybenzeneboronic acid

Application

4-Ethoxycarbonylphenylboronic acid is primarily employed in Suzuki-Miyaura cross-coupling reactions to form biaryl compounds, a key step in drug discovery and material synthesis. Its ethoxycarbonyl group allows further functionalization, enabling the construction of complex molecules for pharmaceuticals and advanced materials. Researchers also use it as a building block in the development of boron-containing polymers and sensors. This compound is particularly valuable in medicinal chemistry for creating targeted therapeutics and diagnostic agents.

Safety and Hazards

GHS Hazard Statements

• H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (71.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
• H336 (14.3%): May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

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 (28.6%)
• Acute Tox. 4 (14.3%)
• Skin Irrit. 2 (92.9%)
• Eye Irrit. 2 (92.9%)
• Acute Tox. 4 (14.3%)
• STOT SE 3 (71.4%)
• STOT SE 3 (14.3%)

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