Trans-2-(4-methylphenyl)vinylboronic acid

• CAS: 72316-17-7
• Catalog Number: ACM72316177
• Category: Other Products
• Molecular Weight: 162g/mol
• Molecular Formula: C9H11BO2
• IUPAC Name: [(E)-2-(4-methylphenyl)ethenyl]boronic acid
• Canonical SMILES: B(C=CC1=CC=C(C=C1)C)(O)O
• InChI: InChI=1S/C9H11BO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7,11-12H,1H3/b7-6+
• InChI Key: JJOBVKVXRDHVRP-VOTSOKGWSA-N
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Exact Mass: 162.08521g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 162.08521g/mol
• Rotatable Bond Count: 2

Synthetic Use

Upstream Synthesis Route 1

• 766-97-2
• 274-07-7

• 72316-17-7

Reference: [1] Patent: WO2016/198836, 2016, A1, . Location in patent: Paragraph 00140

Upstream Synthesis Route 2

• 766-97-2

• 72316-17-7

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 11, p. 2803 - 2807

Upstream Synthesis Route 3

• 766-97-2

• 72316-17-7

Reference: [1] Patent: EP1018514, 2000, A1,

Upstream Synthesis Route 4

• 766-97-2
• 274-07-7

• 72316-17-7

Reference: [1]Patent: WO2016/198836,2016,A1 .Location in patent: Paragraph 00140

Downstream Synthesis Route 1

• 76-09-5
• 72316-17-7

• 149777-84-4

Reference: [1]Koolmeister, Tobias; Södergren, Mikael; Scobie, Martin [Tetrahedron Letters, 2002, vol. 43, # 34, p. 5965 - 5968]

Downstream Synthesis Route 2

• 72316-17-7
• 41658-03-1

• 1620636-42-1

Reference: [1]Journal of Organic Chemistry,2014,vol. 79,p. 7391 - 7398

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