Description

4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid (CAS No. 489446-42-6) is a high-purity boronic acid derivative extensively utilized in organic synthesis and pharmaceutical research. With the molecular formula C₁₂H₁₈BNO₄, this compound features a tert-butoxycarbonyl (Boc)-protected aminomethyl group, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other palladium-catalyzed transformations. Its IUPAC name, [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid, reflects its precise chemical structure. Ideal for researchers, this product is rigorously tested for purity and stability, ensuring reliable performance in complex synthetic pathways. Available in various quantities, it is packaged under inert conditions to maintain integrity.

Properties

• CAS Number: 489446-42-6
• Complexity: 270
• IUPAC Name: [4-[(tert-butoxycarbonylamino)methyl]phenyl]boronic acid
• InChI: InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-4-6-10(7-5-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
• InChI Key: MUBGEKQUCSEECZ-UHFFFAOYSA-N
• Exact Mass: 251.1328882
• Molecular Formula: C12H18BNO4
• Molecular Weight: 251.09
• SMILES: B(C1=CC=C(C=C1)CNC(=O)OC(C)(C)C)(O)O
• Topological: 78.8
• Monoisotopic Mass: 251.1328882
• Synonyms: 4-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENYLBORONIC ACID, 846-010-6, 489446-42-6, 4-(N-Boc-aminomethyl)phenylboronic acid, 4-((N-Boc-amino)methyl)phenylboronic acid, (4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid, 4-[(N-BOC-Amino)methyl]phenylboronic acid, [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic Acid, 4-((tert-butoxycarbonylamino)methyl)phenylboronic acid, 4-N-(BOC)aminomethylphenylboronic acid, MFCD04115637, 4-(BOC-AMINOMETHYL)PHENYLBORONIC ACID, (4-{[(tert-butoxycarbonyl)amino]methyl}phenyl)boronic acid, 4-[(tert-butoxycarbonylamino)methyl]phenylboronic acid, SCHEMBL433769, DTXSID30397536, MUBGEKQUCSEECZ-UHFFFAOYSA-N, AKOS015891165, AB20301, FS-5936, 4-[(Boc-amino)methyl]phenylboronic Acid, 4-(N-Boc-aminomethyl)-phenylboronic acid, SY075852, [4-(N-boc-aminomethyl)phenyl]boronic acid, DB-016027, CS-0112855, A12563, EN300-249901, 4-[(N-BOC-AMINO)METHYL]PHENYLBORONICACID, 4-((tert-butoxycarbonyl)methyl)phenylboronic acid, A827631, 4-(tert-butoxycarbonylamino-methyl)phenylboronic acid, 4-(tert-butoxycarbonylaminomethyl)-phenylboronic acid, 4-(N-tert-Butoxycarbonyl-aminomethyl)phenylboronic acid, [4-(N-tert-butoxycarbonyl-aminomethyl)phenyl]boronic acid, (4-(((tert-butoxycarbonyl)-amino)methyl)-phenyl)boronic acid, (4-(((tert-butoxycarbonyl)amino)-methyl)phenyl)boronic acid, (4-(((tert-butoxycarbonyl)amino)methyl)-phenyl)boronic acid, [4-({[(tert-butoxy)carbonyl]amino}methyl)phenyl]boronic acid, (4-(((tert-butoxycarbonyl)-amino)-methyl)-phenyl)-boronic acid, 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, AldrichCPR, [4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid, CARBAMIC ACID, N-[(4-BORONOPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER

Application

4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid is widely employed as a key building block in medicinal chemistry for the synthesis of bioactive molecules and peptidomimetics. Its boronic acid moiety facilitates Suzuki couplings, enabling the construction of biaryl structures prevalent in drug discovery. The Boc-protected amine enhances solubility and stability during multi-step syntheses. Researchers also leverage this compound in materials science for designing boron-containing polymers and sensors.

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

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