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Atomfair 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane C13H18BBrO2 CAS 138500-85-3

2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 138500-85-3) is a high-purity boronic ester derivative with the molecular formula C13H18BBrO2. This compound features a reactive bromomethyl group and a stable dioxaborolane moiety, making it a versatile intermediate in organic synthesis and cross-coupling reactions. Its crystalline form ensures consistent performance in Suzuki-Miyaura couplings, functional group transformations, and pharmaceutical research. Ideal for researchers seeking precision in aryl boronate synthesis, this product is rigorously tested for purity (>95% by HPLC) and stored under inert conditions to maintain stability. Available in customizable quantities with detailed analytical data (NMR, MS, FTIR) upon request.

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Description

2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS No. 138500-85-3) is a high-purity boronic ester derivative with the molecular formula C13H18BBrO2. This compound features a reactive bromomethyl group and a stable dioxaborolane moiety, making it a versatile intermediate in organic synthesis and cross-coupling reactions. Its crystalline form ensures consistent performance in Suzuki-Miyaura couplings, functional group transformations, and pharmaceutical research. Ideal for researchers seeking precision in aryl boronate synthesis, this product is rigorously tested for purity (>95% by HPLC) and stored under inert conditions to maintain stability. Available in customizable quantities with detailed analytical data (NMR, MS, FTIR) upon request.

Properties

  • CAS Number: 138500-85-3
  • Complexity: 257
  • IUPAC Name: 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3
  • InChI Key: CBUOGMOTDGNEAW-UHFFFAOYSA-N
  • Exact Mass: 296.05832
  • Molecular Formula: C13H18BBrO2
  • Molecular Weight: 297.00
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CBr
  • Topological: 18.5
  • Monoisotopic Mass: 296.05832
  • Synonyms: 138500-85-3, 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, DTXSID00395701, DTXCID90346560, 679-122-7, 4-(Bromomethyl)benzeneboronic acid pinacol ester, 4-Bromomethylphenylboronic acid pinacol ester, 4-Bromomethylphenylboronic acid, pinacol ester, 1,3,2-DIOXABOROLANE, 2-[4-(BROMOMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-, 4-(Bromomethyl)phenylboronic Acid Pinacol Ester, MFCD02179493, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Bromide, 2-[4-(BROMOMETHYL)PHENYL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABORONATE, 4-(Bromomethyl)benzeneboronic acid, pinacol ester, SCHEMBL104247, (4-(BROMOMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, BCP31413, AKOS015917391, AB11263, AS-2400, CS-W002910, FB40268, AC-30807, SY007915, 4-(bromomethyl)phenylboronic pinacol ester, DB-010625, T2945, 4-bromomethylphenyl boronic acid pinacol ester, (4-bromomethylphenyl)boronic acid pinacol ester, 4-Bromomethyl phenyl boronic acid pinacol ester, EN300-124118, 4-Bromomethylphenylboronic acid pinacol ester, 95%, Z1436659965, 4-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER, 95%, 2-(4-Bromomethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

Application

This compound is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for constructing biaryl structures in drug discovery. It also serves as a precursor for functionalized boronic acids in materials science and agrochemical research. The bromomethyl group enables further derivatization for targeted molecular design.

Safety and Hazards

GHS Hazard Statements

  • H314 (92.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
  • H318 (69.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

  • P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

Hazard Classes and Categories

  • Skin Corr. 1B (92.3%)
  • Eye Dam. 1 (69.2%)

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

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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