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Atomfair 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile C9H16BNO2 CAS 238088-31-8

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile (CAS: 238088-31-8) is a high-purity boronic ester derivative with the molecular formula C9H16BNO2. This compound features a reactive nitrile group and a stable dioxaborolane ring, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other boron-mediated transformations. Its tetramethyl substitution enhances steric stability, ensuring optimal performance in synthetic organic chemistry applications. Ideal for researchers in pharmaceutical development, materials science, and agrochemical synthesis, this product is rigorously tested for consistency, purity, and performance. Available in scalable quantities with detailed analytical certificates (CoA) to support your research needs.

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Description

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile (CAS: 238088-31-8) is a high-purity boronic ester derivative with the molecular formula C9H16BNO2. This compound features a reactive nitrile group and a stable dioxaborolane ring, making it a versatile intermediate for Suzuki-Miyaura cross-coupling reactions and other boron-mediated transformations. Its tetramethyl substitution enhances steric stability, ensuring optimal performance in synthetic organic chemistry applications. Ideal for researchers in pharmaceutical development, materials science, and agrochemical synthesis, this product is rigorously tested for consistency, purity, and performance. Available in scalable quantities with detailed analytical certificates (CoA) to support your research needs.

Properties

  • CAS Number: 238088-31-8
  • Complexity: 225
  • IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile
  • InChI: InChI=1S/C9H16BNO2/c1-8(2)9(3,4)13-10(12-8)6-5-7-11/h5-6H2,1-4H3
  • InChI Key: YCRBWRBCSUVPIG-UHFFFAOYSA-N
  • Exact Mass: 181.1274089
  • Molecular Formula: C9H16BNO2
  • Molecular Weight: 181.04
  • SMILES: B1(OC(C(O1)(C)C)(C)C)CCC#N
  • Topological: 42.3
  • Monoisotopic Mass: 181.1274089
  • Synonyms: 238088-31-8, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)propanenitrile, DTXSID90725876, DTXCID80676621, 867-713-4, 2-CYANOETHYLBORONIC ACID, PINACOL ESTER, 2-Cyanoethyl-1-boronic acid pinacol ester, 3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PROPANENITRILE, MFCD19105547, SCHEMBL22982737, AKOS016008368, AT15974, BS-27729, DB-338880, CS-0174077, EN300-1178213, Z1238573263

Application

This compound is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to form carbon-carbon bonds in complex organic synthesis. Its nitrile functionality allows further derivatization, enabling applications in medicinal chemistry for drug discovery and development. Additionally, it serves as a precursor in the synthesis of advanced materials, including OLEDs and liquid crystals.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • Acute Tox. 4 (100%)
  • STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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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