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Atomfair 2-(Methoxycarbonylmethyl)phenylboronic acid pinacol ester C15H21BO4 CAS 956229-86-0

2-(Methoxycarbonylmethyl)phenylboronic acid pinacol ester (CAS No. 956229-86-0) is a high-purity boronic ester derivative with the molecular formula C15H21BO4. This compound, also known by its IUPAC name methyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate , is a versatile intermediate in organic synthesis and pharmaceutical research. The pinacol ester group enhances stability, making it ideal for Suzuki-Miyaura cross-coupling reactions, a cornerstone in constructing complex biaryl structures. Supplied as a white to off-white crystalline solid, it is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and stored under inert conditions to ensure optimal shelf life. Suitable for use in medicinal chemistry, materials science, and agrochemical…

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Description

2-(Methoxycarbonylmethyl)phenylboronic acid pinacol ester (CAS No. 956229-86-0) is a high-purity boronic ester derivative with the molecular formula C15H21BO4. This compound, also known by its IUPAC name methyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate, is a versatile intermediate in organic synthesis and pharmaceutical research. The pinacol ester group enhances stability, making it ideal for Suzuki-Miyaura cross-coupling reactions, a cornerstone in constructing complex biaryl structures. Supplied as a white to off-white crystalline solid, it is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and stored under inert conditions to ensure optimal shelf life. Suitable for use in medicinal chemistry, materials science, and agrochemical development, this reagent is packaged in amber glass vials or sealed containers to prevent moisture degradation.

Properties

  • CAS Number: 956229-86-0
  • Complexity: 351
  • IUPAC Name: methyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
  • InChI: InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-9-7-6-8-11(12)10-13(17)18-5/h6-9H,10H2,1-5H3
  • InChI Key: AIICBFSEEBAMMB-UHFFFAOYSA-N
  • Exact Mass: 276.1532893
  • Molecular Formula: C15H21BO4
  • Molecular Weight: 276.14
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CC(=O)OC
  • Topological: 44.8
  • Monoisotopic Mass: 276.1532893
  • Synonyms: 2-(METHOXYCARBONYLMETHYL)PHENYLBORONIC ACID PINACOL ESTER, 812-311-6, 956229-86-0, Methyl 2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate, methyl 2-[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate, methyl 2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate, MFCD12913983, (2-(2-METHOXY-2-OXOETHYL)PHENYL)BORONIC ACID PINACOL ESTER, methyl [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate, SCHEMBL14656987, DTXSID50675404, AIICBFSEEBAMMB-UHFFFAOYSA-N, GNB22986, AKOS016001027, MB12070, NCGC00662858-01, AS-50939, DA-00201, SY042061, CS-0049185, EN300-131677, P11512, Z1639138314, 2-(2-Methoxy-2-oxoethyl)benzeneboronic acid, pinacol ester, 2-(2-Methoxy-2-oxoethyl)phenylboronic Acid Pinacol Ester, Methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetate, Methyl2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Application

2-(Methoxycarbonylmethyl)phenylboronic acid pinacol ester is widely employed in palladium-catalyzed cross-coupling reactions to form carbon-carbon bonds, particularly in pharmaceutical synthesis. Its stability under ambient conditions makes it a preferred choice for multi-step organic transformations. Researchers also utilize it to introduce functionalized phenyl groups into complex molecules for drug discovery and material science applications.

Safety and Hazards

GHS Hazard Statements

  • H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
  • 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 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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