Description

4-tert-Butoxyphenylboronic acid (CAS No. 176672-49-4) is a high-purity boronic acid derivative with the molecular formula C₁₀H₁₅BO₃. This compound, also known by its IUPAC name [4-[(2-methylpropan-2-yl)oxy]phenyl]boronic acid, is a valuable building block in organic synthesis and pharmaceutical research. Its unique tert-butoxy substitution enhances steric and electronic properties, making it ideal for Suzuki-Miyaura cross-coupling reactions. The product is rigorously tested for quality, ensuring >95% purity by HPLC, and is supplied as a white to off-white crystalline powder. Suitable for use in drug discovery, material science, and catalysis, it is packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 176672-49-4
• Complexity: 169
• IUPAC Name: (4-tert-butoxyphenyl)boronic acid
• InChI: InChI=1S/C10H15BO3/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3
• InChI Key: OKHCKPPOCZWHRN-UHFFFAOYSA-N
• Exact Mass: 194.1114245
• Molecular Formula: C10H15BO3
• Molecular Weight: 194.04
• SMILES: B(C1=CC=C(C=C1)OC(C)(C)C)(O)O
• Topological: 49.7
• Monoisotopic Mass: 194.1114245
• Synonyms: 4-tert-Butoxyphenylboronic acid, 804-759-6, 176672-49-4, 4-T-BUTOXYPHENYLBORONIC ACID, 4-(tert-butoxy)phenylboronic acid, (4-(tert-Butoxy)phenyl)boronic acid, [4-[(2-methylpropan-2-yl)oxy]phenyl]boronic Acid, Boronic acid, B-[4-(1,1-dimethylethoxy)phenyl]-, [4-(tert-butoxy)phenyl]boronic acid, MFCD03094965, Boronic acid, [4-(1,1-dimethylethoxy)phenyl]-, SCHEMBL503301, 4-tert-butoxybenzeneboronic acid, 4-(tert-butoxy)phenylboronicacid, DTXSID60464346, (4-tert-butoxyphenyl)boronic acid, 4-(tertbutoxy)phenyl boronic acid, OKHCKPPOCZWHRN-UHFFFAOYSA-N, BHA67249, AC1092, AKOS004113911, AB13401, DS-15220, SY026533, 4-tert-Butoxyphenylboronic acid, AldrichCPR, CS-0154661, EN300-139396, B-[4-(1,1-Dimethylethoxy)phenyl]boronic Acid;, Z1198161521

Application

4-tert-Butoxyphenylboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to synthesize biaryl compounds for pharmaceuticals and agrochemicals. Its tert-butoxy group improves solubility and reactivity in organic solvents, facilitating efficient coupling with aryl halides. Researchers also employ it in the development of boron-based sensors and polymers due to its stable boronic acid moiety. Additionally, it serves as a precursor in the synthesis of advanced materials with tailored 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 (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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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