4-Methylthiophene-2-boronic acid pinacol ester

• CAS: 635305-48-5
• Catalog Number: ACM635305485-1
• Category: Boronic Esters
• Molecular Weight: 224.13g/mol
• Molecular Formula: C11H17BO2S
• IUPAC Name: 4,4,5,5-tetramethyl-2-(4-methylthiophen-2-yl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)C
• InChI: InChI=1S/C11H17BO2S/c1-8-6-9(15-7-8)12-13-10(2,3)11(4,5)14-12/h6-7H,1-5H3
• InChI Key: FNRMPXJVCSMVMA-UHFFFAOYSA-N
• Complexity: 239
• Covalently-Bonded Unit Count: 1
• Exact Mass: 224.104231g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 15
• Monoisotopic Mass: 224.104231g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 53119-60-1
• 61676-62-8

• 635305-48-5

Reference: [1]Melucci; Barbarella; Zambianchi; Di Pietro; Bongini
[Journal of Organic Chemistry, 2004, vol. 69, # 14, p. 4821 - 4828]