2,2-Dimethylethenylboronic acid pinacol ester

• CAS: 126689-00-7
• Catalog Number: ACM126689007-1
• Category: Boronic Esters
• Molecular Weight: 182.07g/mol
• Molecular Formula: C10H19BO2
• IUPAC Name: 4,4,5,5-tetramethyl-2-(2-methylprop-1-enyl)-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C=C(C)C
• InChI: InChI=1S/C10H19BO2/c1-8(2)7-11-12-9(3,4)10(5,6)13-11/h7H,1-6H3
• InChI Key: LWXHOCHDERDUID-UHFFFAOYSA-N
• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Exact Mass: 182.14781g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Monoisotopic Mass: 182.14781g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 3017-69-4
• 73183-34-3

• 126689-00-7

Reference: [1] Journal of the American Chemical Society, 2002, vol. 124, # 27, p. 8001 - 8006
[2] Chemistry Letters, 2000, # 2, p. 126 - 127
[3] Journal of the American Chemical Society, 2002, vol. 124, # 27, p. 8001 - 8006
[4] Chemistry Letters, 2000, # 2, p. 126 - 127

Upstream Synthesis Route 2

• 3017-69-4
• 25015-63-8

• 126689-00-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 14, p. 4582 - 4589

Upstream Synthesis Route 3

• 84224-48-6
• 73183-34-3

• 126689-00-7

Reference: [1] Beilstein Journal of Organic Chemistry, 2010, vol. 6, p. 1229 - 1245

Upstream Synthesis Route 4

• 3017-69-4
• 73183-34-3

• 126689-00-7

Reference: [1]Journal of the American Chemical Society,2002,vol. 124,p. 8001 - 8006
[2]Chemistry Letters,2000,p. 126 - 127
[3]Journal of the American Chemical Society,2002,vol. 124,p. 8001 - 8006
[4]Chemistry Letters,2000,p. 126 - 127

Downstream Synthesis Route 1

• 1092446-83-7
• 126689-00-7

• 1092448-54-8

Reference: [1]Patent: WO2008/151211,2008,A1 .Location in patent: Page/Page column 217

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