4-Dibenzothienylboronic acid

• CAS: 108847-20-7
• Catalog Number: ACM108847207
• Category: Thiophenes
• Molecular Weight: 228.08g/mol
• Molecular Formula: C12H9BO2S
• Synonyms: 4-Dibenzothiopheneboronic acid
• IUPAC Name: dibenzothiophen-4-ylboronic acid
• Canonical SMILES: B(C1=C2C(=CC=C1)C3=CC=CC=C3S2)(O)O
• InChI: InChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
• InChI Key: GOXNHPQCCUVWRO-UHFFFAOYSA-N
• Melting Point: 327-330 °C
• Appearance: Wihte or Off-White Solid
• Complexity: 261
• Covalently-Bonded Unit Count: 1
• Exact Mass: 228.041631g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Monoisotopic Mass: 228.041631g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 97511-05-2
• 121-43-7

• 108847-20-7

Reference: [1] Patent: KR101497123, 2015, B1, . Location in patent: Paragraph 0088; 0089; 0090; 0091; 0092

Upstream Synthesis Route 2

• 132-65-0
• 5419-55-6

• 108847-20-7

Reference: [1] Patent: US2013/69049, 2013, A1, . Location in patent: Paragraph 0057; 0059-0060

Upstream Synthesis Route 3

• 97511-05-2
• 5419-55-6

• 108847-20-7

Reference: [1] Patent: KR2016/10878, 2016, A, . Location in patent: Paragraph 0203-0205

Upstream Synthesis Route 4

• 132-65-0
• 121-43-7

• 108847-20-7

Reference: [1]Kappaun, Stefan; Sovic, Tanja; Stelzer, Franz; Pogantsch, Alexander; Zojer, Egbert; Slugovc, Christian
[Organic and Biomolecular Chemistry, 2006, vol. 4, # 8, p. 1503 - 1511]

Downstream Synthesis Route 1

• 108-36-1
• 108847-20-7

• 1084334-28-0

Reference: [1]Feng, Xinliang; Wu, Jishan; Ai, Min; Pisula, Wojciech; Zhi, Linjie; Rabe, Juergen P.; Muellen, Klaus
[Angewandte Chemie - International Edition, 2007, vol. 46, # 17, p. 3033 - 3036]

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