3,5-Dimethylpyrazole-4-boronic acid,pinacol ester

• CAS: 857530-80-4
• Catalog Number: ACM857530804
• Category: Boronic Acids
• Molecular Weight: 222.09g/mol
• Molecular Formula: C11H19BN2O2
• IUPAC Name: 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C)C
• InChI: InChI=1S/C11H19BN2O2/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14)
• InChI Key: GNUDAJTUCJEBEI-UHFFFAOYSA-N
• Complexity: 267
• Covalently-Bonded Unit Count: 1
• Exact Mass: 222.153958g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 16
• Monoisotopic Mass: 222.153958g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 67-51-6
• 73183-34-3

• 857530-80-4

Reference: [1] Journal of the American Chemical Society, 2014, vol. 136, # 11, p. 4287 - 4299

Downstream Synthesis Route 1

• 857530-80-4
• 74-88-4

• 844891-04-9

Reference: [1] Patent: WO2009/71895, 2009, A1, . Location in patent: Page/Page column 117

Downstream Synthesis Route 2

• 857530-80-4
• 75-03-6

• 1082503-79-4

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 19, p. 5299 - 5302

Downstream Synthesis Route 3

• 857530-80-4
• 74-88-4

• 844891-04-9

Reference: [1]Patent: WO2009/71895,2009,A1 .Location in patent: Page/Page column 117

Downstream Synthesis Route 4

• 857530-80-4
• 459-46-1

• 1126779-27-8

Reference: [1]Patent: US2009/270359,2009,A1 .Location in patent: Page/Page column 35

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