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Atomfair 4-(Dimethylcarbamoyl)phenylboronic Acid C9H12BNO3 CAS 405520-68-5

4-(Dimethylcarbamoyl)phenylboronic Acid (CAS No. 405520-68-5) is a high-purity boronic acid derivative with the molecular formula C9H12BNO3. This compound, also known by its IUPAC name [4-(dimethylcarbamoyl)phenyl]boronic acid, is a valuable reagent for organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its unique structure, featuring a dimethylcarbamoyl substituent, enhances its reactivity and selectivity in forming carbon-carbon bonds. Ideal for pharmaceutical research, material science, and chemical catalysis, this product is rigorously tested to ensure ≥95% purity (HPLC). Available in convenient packaging options, it is stored under controlled conditions to maintain stability and performance.

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Description

4-(Dimethylcarbamoyl)phenylboronic Acid (CAS No. 405520-68-5) is a high-purity boronic acid derivative with the molecular formula C9H12BNO3. This compound, also known by its IUPAC name [4-(dimethylcarbamoyl)phenyl]boronic acid, is a valuable reagent for organic synthesis, particularly in Suzuki-Miyaura cross-coupling reactions. Its unique structure, featuring a dimethylcarbamoyl substituent, enhances its reactivity and selectivity in forming carbon-carbon bonds. Ideal for pharmaceutical research, material science, and chemical catalysis, this product is rigorously tested to ensure ≥95% purity (HPLC). Available in convenient packaging options, it is stored under controlled conditions to maintain stability and performance.

Properties

  • CAS Number: 405520-68-5
  • Complexity: 200
  • IUPAC Name: [4-(dimethylcarbamoyl)phenyl]boronic acid
  • InChI: InChI=1S/C9H12BNO3/c1-11(2)9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,1-2H3
  • InChI Key: QJYYVSIRDJVQJW-UHFFFAOYSA-N
  • Exact Mass: 193.0910234
  • Molecular Formula: C9H12BNO3
  • Molecular Weight: 193.01
  • SMILES: B(C1=CC=C(C=C1)C(=O)N(C)C)(O)O
  • Topological: 60.8
  • Monoisotopic Mass: 193.0910234
  • Synonyms: 4-(dimethylcarbamoyl)phenylboronic acid, 686-924-0, 405520-68-5, 4-(N,N-Dimethylaminocarbonyl)phenylboronic acid, (4-(Dimethylcarbamoyl)phenyl)boronic acid, [4-(dimethylcarbamoyl)phenyl]boronic Acid, 4-(N,N-Dimethylcarbamoyl)phenylboronic acid, BORONIC ACID, [4-[(DIMETHYLAMINO)CARBONYL]PHENYL]-, MFCD02258943, 4-(N,N-DIMETHYLAMINOCARBONYL)BENZENE BORONIC ACID, 4-(DIMETHYLCARBAMOYL)BENZENEBORONIC ACID, SCHEMBL134473, DTXSID80393109, QJYYVSIRDJVQJW-UHFFFAOYSA-N, BBL102099, SBB052540, STL555898, AKOS015850617, N,N-DIMETHYL 4-BORONOBENZAMIDE, AB11702, CS-W000926, 4-(dimethylcarbamoyl)-phenylboronic acid, 4-(dimethyl carbamoyl)phenyl boronic acid, 4-dimethylaminocarbonylphenyl boronic acid, AS-14944, SY031070, (4-(dimethylcarbamoyl)phenyl)-boronic acid, 4-(Dihydroxyboryl)-(N,N-dimethylbenzamide), DB-009530, D5226, 4-[(dimethylamino)carbonyl]phenylboronic acid, {4-[(dimethylamino)carbonyl]phenyl}boronic acid, 4-(Dimethylcarbamoyl)phenylboronic acid, >=94%, EN300-7358576, [4-(N,N-dimethylaminocarbonyl)phenyl]boronic acid, [4-(N,N-dimethylaminocarbonyl)phenyl]-boronic acid, 4-(DIMETHYLAMINO)-CARBONYL-BENZENEBORONIC ACID, 4-(N,N-DIMENTHYLAMINOCARBONY)PHENYLNORORNIC ACID, Z1255458076, 4-(Dimethylcarbamoyl)benzeneboronic acid(contains varying amounts of Anhydride)

Application

4-(Dimethylcarbamoyl)phenylboronic Acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions for the synthesis of biaryl compounds. It is also employed in the development of pharmaceutical agents, particularly in the modification of drug candidates to enhance bioavailability. Researchers utilize this boronic acid derivative in material science for designing advanced polymers and functional materials.

Safety and Hazards

GHS Hazard Statements

  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (97.8%)

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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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