2-Furanboronic acid

• CAS: 13331-23-2
• Catalog Number: ACM13331232
• Category: Furans
• Molecular Weight: 111.89g/mol
• Molecular Formula: C4H5BO3
• Synonyms: (5-Furanyl)boronic acid, 2-Furanboronic acid, 2-Furylboronic acid
• IUPAC Name: furan-2-ylboronic acid
• Canonical SMILES: B(C1=CC=CO1)(O)O
• InChI: InChI=1S/C4H5BO3/c6-5(7)4-2-1-3-8-4/h1-3,6-7H
• InChI Key: PZJSZBJLOWMDRG-UHFFFAOYSA-N
• Melting Point: 112 °C (dec.)(lit.)
• Complexity: 75.7
• Covalently-Bonded Unit Count: 1
• Exact Mass: 112.033174g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 8
• Monoisotopic Mass: 112.033174g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 1104637-62-8

• 13331-23-2

Reference: [1] Journal of the American Chemical Society, 2009, vol. 131, p. 6961 - 6963
[2] Patent: WO2010/36921, 2010, A2, . Location in patent: Page/Page column 41

Upstream Synthesis Route 2

• 534-22-5
• 121-43-7

• 13331-23-2

Reference: [1] Patent: US2015/266914, 2015, A1, . Location in patent: Paragraph 0147; 0260

Upstream Synthesis Route 3

• 110-00-9
• 121-43-7
• 7732-18-5

• 13331-23-2

Reference: [1] European Journal of Medicinal Chemistry, 2018, vol. 150, p. 30 - 38

Downstream Synthesis Route 1

• 13331-23-2
• 93349-99-6

• 93350-04-0

Reference: [1]Journal of Organic Chemistry,1984,vol. 49,p. 5237 - 5243

Downstream Synthesis Route 2

• 13331-23-2
• 40598-94-5

• 3878-19-1

Reference: [1]Tetrahedron,1999,vol. 55,p. 6917 - 6922

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