Description

4-(tert-Butoxymethyl)benzeneboronic acid (CAS No. 1024017-53-5) is a high-purity boronic acid derivative with the molecular formula C₁₁H₁₇BO₃. This compound, also known by its IUPAC name [4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its unique structure, featuring a tert-butoxymethyl group, enhances solubility and reactivity in cross-coupling reactions such as Suzuki-Miyaura couplings. Ideal for researchers and scientists, this product is rigorously tested for quality, ensuring optimal performance in catalytic applications. Available in various quantities, it is supplied with detailed analytical data including ¹H NMR, ¹³C NMR, and HPLC purity reports.

Properties

• CAS Number: 1024017-53-5
• Complexity: 181
• IUPAC Name: [4-(tert-butoxymethyl)phenyl]boronic acid
• InChI: InChI=1S/C11H17BO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7,13-14H,8H2,1-3H3
• InChI Key: SWBBCXVELDRAPH-UHFFFAOYSA-N
• Exact Mass: 208.1270746
• Molecular Formula: C11H17BO3
• Molecular Weight: 208.06
• SMILES: B(C1=CC=C(C=C1)COC(C)(C)C)(O)O
• Topological: 49.7
• Monoisotopic Mass: 208.1270746
• Synonyms: 4-(tert-Butoxymethyl)benzeneboronic acid, 691-028-8, 1024017-53-5, 4-tert-Butoxymethylphenylboronic acid, 4-(tert-butoxymethyl)phenylboronic acid, (4-(tert-Butoxymethyl)phenyl)boronic acid, [4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic Acid, Boronic acid, B-[4-[(1,1-dimethylethoxy)methyl]phenyl]-, MFCD03701685, (4-(tert-Butoxymethyl)phenyl)boronicacid, SCHEMBL1444817, DTXSID30395330, SWBBCXVELDRAPH-UHFFFAOYSA-N, 4-tert-butyloxymethylphenylboronic acid, AKOS004116471, AB15800, PS-9418, 4-(t-butoxymethyl-)-phenylboronic acid, CS-0175410, A11833

Application

4-(tert-Butoxymethyl)benzeneboronic acid is widely used as a key intermediate in the synthesis of pharmaceuticals and agrochemicals. Its boronic acid moiety makes it invaluable in Suzuki-Miyaura cross-coupling reactions for constructing biaryl compounds. The tert-butoxymethyl group provides steric protection and improved solubility in organic solvents. Researchers also employ it in the development of boron-containing polymers and materials science applications.

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. 2 (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.