1-(Tetrahydropyran-2-yl)-1H-pyrazole-5-boronic acid pinacol ester

• CAS: 903550-26-5
• Catalog Number: ACM903550265
• Category: Other Products; Boronic Acids
• Molecular Weight: 278.16g/mol
• Molecular Formula: C14H23BN2O3
• IUPAC Name: 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3CCCCO3
• InChI: InChI=1S/C14H23BN2O3/c1-13(2)14(3,4)20-15(19-13)11-8-9-16-17(11)12-7-5-6-10-18-12/h8-9,12H,5-7,10H2,1-4H3
• InChI Key: ZZRFDLHBMBHJTI-UHFFFAOYSA-N
• Complexity: 348
• Covalently-Bonded Unit Count: 1
• EC Number: 640-188-7
• Exact Mass: 278.180173g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 278.180173g/mol
• Rotatable Bond Count: 2

Synthetic Use

Upstream Synthesis Route 1

• 76-09-5
• 449758-17-2

• 903550-26-5

Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 27, p. 4665 - 4669
[2] Tetrahedron Letters, 2007, vol. 48, # 23, p. 4123 - 4126
[3] Patent: WO2010/93849, 2010, A2, . Location in patent: Page/Page column 63

Upstream Synthesis Route 2

• 76-09-5
• 449758-17-2

• 903550-26-5

Reference: [1]Tetrahedron Letters,2006,vol. 47,p. 4665 - 4669
[2]Tetrahedron Letters,2007,vol. 48,p. 4123 - 4126
[3]Patent: WO2010/93849,2010,A2 .Location in patent: Page/Page column 63

Upstream Synthesis Route 3

• 76-09-5
• 5419-55-6
• 449758-17-2

• 903550-26-5

Reference: [1]Patent: WO2016/162604,2016,A1 .Location in patent: Page/Page column 14

Downstream Synthesis Route 1

• 903550-26-5
• 848440-23-3

• 1357588-10-3
• 449758-17-2

Reference: [1] Patent: WO2012/16993, 2012, A1, . Location in patent: Page/Page column 138-139

Downstream Synthesis Route 2

• 903550-26-5
• 1357587-46-2

• 1357587-47-3
• 449758-17-2

Reference: [1] Patent: WO2012/16993, 2012, A1, . Location in patent: Page/Page column 55-56

Downstream Synthesis Route 3

• 903550-26-5
• 626-55-1

• 903550-35-6

Reference: [1]Journal of Organic Chemistry,2008,vol. 73,p. 4309 - 4312
[2]Tetrahedron Letters,2006,vol. 47,p. 4665 - 4669

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