3-Methyl-4-pyrazole boronic acid pinacol ester

• CAS: 936250-20-3
• Catalog Number: ACM936250203
• Category: Other
• Molecular Weight: 208.07g/mol
• Molecular Formula: C10H17BN2O2
• IUPAC Name: 5-methyl-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=C2)C
• InChI: InChI=1S/C10H17BN2O2/c1-7-8(6-12-13-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3,(H,12,13)
• InChI Key: MSJAEFFWTBMIKT-UHFFFAOYSA-N
• Complexity: 242
• Covalently-Bonded Unit Count: 1
• Exact Mass: 208.138308g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 15
• Monoisotopic Mass: 208.138308g/mol
• Rotatable Bond Count: 1

Synthetic Use

Upstream Synthesis Route 1

• 1021919-24-3
• 73183-34-3

• 936250-20-3

Reference: [1] Patent: WO2008/51493, 2008, A2, . Location in patent: Page/Page column 181

Upstream Synthesis Route 2

• 1453-58-3
• 73183-34-3

• 936250-20-3

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

Upstream Synthesis Route 3

• 1021919-24-3
• 73183-34-3

• 936250-20-3

Reference: [1]Patent: WO2008/51493,2008,A2 .Location in patent: Page/Page column 181

Downstream Synthesis Route 1

• 936250-20-3
• 74-88-4

• 1036991-40-8
• 1046832-21-6

Reference: [1] Patent: WO2010/51373, 2010, A1, . Location in patent: Page/Page column 74

Downstream Synthesis Route 2

• 936250-20-3
• 24424-99-5

• 1009071-34-4

Reference: [1]Patent: WO2008/51493,2008,A2 .Location in patent: Page/Page column 184

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