Benzo[b]thien-3-ylboronic acid

• CAS: 113893-08-6
• Catalog Number: ACM113893086
• Category: Thiophenes
• Molecular Weight: 178.02g/mol
• Molecular Formula: C8H7BO2S
• Synonyms: Thianaphthene-3-boronic acid
• IUPAC Name: 1-benzothiophen-3-ylboronic acid
• Canonical SMILES: B(C1=CSC2=CC=CC=C12)(O)O
• InChI: InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
• InChI Key: QVANIYYVZZLQJP-UHFFFAOYSA-N
• Melting Point: 225-230 °C
• Appearance: Solid
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Exact Mass: 178.025981g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 178.025981g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 7342-82-7
• 5419-55-6

• 113893-08-6

Reference: [1] Patent: EP2617724, 2013, A1, . Location in patent: Paragraph 0162; 0163

Upstream Synthesis Route 2

• 7342-82-7
• 121-43-7

• 113893-08-6

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 1, p. 174 - 180

Downstream Synthesis Route 1

• 6966-01-4
• 113893-08-6

• 113892-85-6

Reference: [1]Journal of Organic Chemistry,1988,vol. 53,p. 2052 - 2055

* For details of the synthesis route, please refer to the original source to ensure accuracy.