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Atomfair 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid C10H11BN2O3 CAS 762262-11-3

3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid (CAS No. 762262-11-3) is a high-purity boronic acid derivative with the molecular formula C10H11BN2O3. This compound features a boronic acid functional group attached to a phenyl ring, which is further substituted with a 2-cyanoethylcarbamoyl moiety. Its IUPAC name is [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid , and it is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions due to its excellent reactivity as a boron-based coupling partner. The presence of both boronic acid and cyanoethylcarbamoyl groups makes it a versatile intermediate for pharmaceutical and materials science research. This product is supplied as a white to off-white crystalline powder with ≥95%…

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Description

3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid (CAS No. 762262-11-3) is a high-purity boronic acid derivative with the molecular formula C10H11BN2O3. This compound features a boronic acid functional group attached to a phenyl ring, which is further substituted with a 2-cyanoethylcarbamoyl moiety. Its IUPAC name is [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid, and it is widely utilized in organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions due to its excellent reactivity as a boron-based coupling partner. The presence of both boronic acid and cyanoethylcarbamoyl groups makes it a versatile intermediate for pharmaceutical and materials science research. This product is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring optimal performance in sensitive applications. Store in a cool, dry place under inert conditions to maintain stability.

Properties

  • CAS Number: 762262-11-3
  • Complexity: 287
  • IUPAC Name: [3-(2-cyanoethylcarbamoyl)phenyl]boronic acid
  • InChI: InChI=1S/C10H11BN2O3/c12-5-2-6-13-10(14)8-3-1-4-9(7-8)11(15)16/h1,3-4,7,15-16H,2,6H2,(H,13,14)
  • InChI Key: RIXOLHWXBQWQFL-UHFFFAOYSA-N
  • Exact Mass: 218.0862724
  • Molecular Formula: C10H11BN2O3
  • Molecular Weight: 218.02
  • SMILES: B(C1=CC(=CC=C1)C(=O)NCCC#N)(O)O
  • Topological: 93.4
  • Monoisotopic Mass: 218.0862724
  • Synonyms: 3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid, 800-536-2, 762262-11-3, 3-(2-CYANOETHYLAMINOCARBONYL)PHENYLBORONIC ACID, (3-((2-Cyanoethyl)carbamoyl)phenyl)boronic acid, [3-(2-cyanoethylcarbamoyl)phenyl]boronic Acid, {3-[(2-cyanoethyl)carbamoyl]phenyl}boronic acid, MFCD04115697, SCHEMBL1490822, DTXSID70395096, RIXOLHWXBQWQFL-UHFFFAOYSA-N, AKOS015836380, AB20428, BS-24499, 3-(2-cyanoethylcarbamoyl)phenylboronic acid, 3-(2-cyanoethyl-carbamoyl)phenylboronic acid, CS-0174184, (3-((2-Cyanoethyl)carbamoyl)phenyl)boronicacid, H11659, 3-{[(2-cyanoethyl)amino]carbonyl}phenyl boronic acid

Application

3-(2-Cyanoethylaminocarbonyl)benzeneboronic acid is a key reagent in palladium-catalyzed cross-coupling reactions, enabling the synthesis of biaryl compounds for drug discovery and materials science. Its boronic acid group facilitates efficient Suzuki-Miyaura couplings with aryl halides, while the cyanoethylcarbamoyl moiety can serve as a handle for further functionalization. Researchers also employ this compound in the development of boron-containing probes and sensors due to its selective binding properties. Additionally, it finds use in the preparation of advanced intermediates for pharmaceuticals targeting inflammation and oncology.

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. 2 (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

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  • 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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