2-Phenyl-1-ethynylboronic acid pinacol ester

• CAS: 159087-45-3
• Catalog Number: ACM159087453
• Category: Other Products
• Molecular Weight: 228.1g/mol
• Molecular Formula: C14H17BO2
• IUPAC Name: 4,4,5,5-tetramethyl-2-(2-phenylethynyl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C#CC2=CC=CC=C2
• InChI: InChI=1S/C14H17BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-9H,1-4H3
• InChI Key: VEIORNIWTVJLCN-UHFFFAOYSA-N
• Complexity: 326
• Covalently-Bonded Unit Count: 1
• Exact Mass: 228.13216g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 228.13216g/mol
• Rotatable Bond Count: 2

Synthetic Use

Upstream Synthesis Route 1

• 61676-62-8
• 536-74-3

• 159087-45-3

Reference: [1] Organic Letters, 2014, vol. 16, # 17, p. 4670 - 4673

Upstream Synthesis Route 2

• 536-74-3
• 25015-63-8

• 159087-45-3

Reference: [1] Chemical Science, 2016, vol. 8, # 1, p. 165 - 168
[2] Journal of the American Chemical Society, 2013, vol. 135, # 9, p. 3560 - 3566
[3] Angewandte Chemie - International Edition, 2015, vol. 54, # 47, p. 14003 - 14007[4] Angew. Chem., 2015,
[5] Journal of Organometallic Chemistry, 2017, vol. 829, p. 11 - 13

Upstream Synthesis Route 3

• 76-09-5

• 159087-45-3

Reference: [1] Organic Letters, 2018, vol. 20, # 16, p. 4719 - 4722