Description
4-(tert-Butylthio)phenylboronic acid (CAS No. 820972-68-7) is a high-purity boronic acid derivative with the molecular formula C10H15BO2S. This compound features a tert-butylthio group attached to a phenylboronic acid moiety, making it a valuable building block for Suzuki-Miyaura cross-coupling reactions and other organoboron-mediated transformations. Its IUPAC name is (4-tert-butylsulfanylphenyl)boronic acid, and it is characterized by excellent stability and reactivity under controlled conditions. Ideal for pharmaceutical research, material science, and catalysis, this reagent is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Store in a cool, dry place under inert atmosphere to maintain optimal stability.
Properties
- CAS Number: 820972-68-7
- Complexity: 171
- IUPAC Name: (4-tert-butylsulfanylphenyl)boronic acid
- InChI: InChI=1S/C10H15BO2S/c1-10(2,3)14-9-6-4-8(5-7-9)11(12)13/h4-7,12-13H,1-3H3
- InChI Key: RLSGPRQEFFGNKS-UHFFFAOYSA-N
- Exact Mass: 210.0885811
- Molecular Formula: C10H15BO2S
- Molecular Weight: 210.11
- SMILES: B(C1=CC=C(C=C1)SC(C)(C)C)(O)O
- Topological: 65.8
- Monoisotopic Mass: 210.0885811
- Synonyms: 4-(tert-Butylthio)phenylboronic acid, 820972-68-7, (4-(tert-Butylthio)phenyl)boronic acid, (4-tert-butylsulfanylphenyl)boronic acid, [4-(tert-butylsulfanyl)phenyl]boronic acid, MFCD06801702, SCHEMBL22584701, DTXSID50479323, (4-(tert-Butylthio)phenyl)boronicacid, AKOS004119275, AB30115, BS-24318, DB-367106, CS-0178650, E83942
Application
4-(tert-Butylthio)phenylboronic acid is widely used as a key intermediate in Suzuki-Miyaura cross-coupling reactions to synthesize biaryl compounds for drug discovery and materials science. Its tert-butylthio group enhances steric and electronic properties, making it valuable in catalytic systems and ligand design. Researchers also employ it in the development of boron-containing polymers and sensors due to its unique reactivity.
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