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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