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Atomfair Tert-butylboronic acid pinacol ester C10H21BO2 CAS 99810-76-1

Tert-butylboronic acid pinacol ester (CAS No. 99810-76-1) is a high-purity boronic ester compound with the molecular formula C10H21BO2. This organoboron reagent, also known by its IUPAC name 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane , is widely utilized in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed transformations. The pinacol ester group enhances stability and handling characteristics while maintaining reactivity in organic synthesis. Supplied as a clear, colorless to pale yellow liquid, this compound is rigorously tested to meet the highest standards of purity (typically ≥95% by GC or NMR) for research and industrial applications. Suitable for use under inert atmospheres, it is packaged in sealed containers to…

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Description

Tert-butylboronic acid pinacol ester (CAS No. 99810-76-1) is a high-purity boronic ester compound with the molecular formula C10H21BO2. This organoboron reagent, also known by its IUPAC name 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, is widely utilized in Suzuki-Miyaura cross-coupling reactions and other transition-metal-catalyzed transformations. The pinacol ester group enhances stability and handling characteristics while maintaining reactivity in organic synthesis. Supplied as a clear, colorless to pale yellow liquid, this compound is rigorously tested to meet the highest standards of purity (typically ≥95% by GC or NMR) for research and industrial applications. Suitable for use under inert atmospheres, it is packaged in sealed containers to prevent moisture degradation. Ideal for pharmaceutical intermediates, materials science, and specialty chemical synthesis.

Properties

  • CAS Number: 99810-76-1
  • Complexity: 187
  • IUPAC Name: 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • InChI: InChI=1S/C10H21BO2/c1-8(2,3)11-12-9(4,5)10(6,7)13-11/h1-7H3
  • InChI Key: ZQEPUUOQJIWIFJ-UHFFFAOYSA-N
  • Exact Mass: 184.1634601
  • Molecular Formula: C10H21BO2
  • Molecular Weight: 184.09
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C(C)(C)C
  • Topological: 18.5
  • Monoisotopic Mass: 184.1634601
  • Synonyms: 99810-76-1, TERT-BUTYLBORONIC ACID PINACOL ESTER, 2-(tert-Butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-tert-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, MFCD06657801, 1,3,2-Dioxaborolane, 2-(1,1-dimethylethyl)-4,4,5,5-tetramethyl-, SCHEMBL734240, DTXSID70391230, BCP12578, AKOS006344486, AB25678, CS-W018607, GS-6924, DA-00022, FB153689, SY025584, EN300-316304, Z1201623578

Application

Tert-butylboronic acid pinacol ester serves as a key intermediate in Suzuki-Miyaura cross-coupling reactions for constructing C-C bonds in drug discovery and materials science. Its sterically hindered tert-butyl group enables selective coupling in complex molecular architectures. The compound is particularly valuable in synthesizing active pharmaceutical ingredients (APIs) and functionalized organic materials. Researchers also employ it in palladium-catalyzed borylation reactions to create novel boron-containing compounds.

Safety and Hazards

GHS Hazard Statements

  • H227 (50%): Combustible liquid [Warning Flammable liquids]
  • 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

  • P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Hazard Classes and Categories

  • Flam. Liq. 4 (50%)
  • 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.

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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