1-(Thiophen-2-ylmethyl)pyrazole-4-boronic acid pinacol ester

• CAS: 864754-19-8
• Catalog Number: ACM864754198-1
• Category: Other
• Molecular Weight: 290.2g/mol
• Molecular Formula: C14H19BN2O2S
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(thiophen-2-ylmethyl)pyrazole
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC3=CC=CS3
• InChI: InChI=1S/C14H19BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-8-16-17(9-11)10-12-6-5-7-20-12/h5-9H,10H2,1-4H3
• InChI Key: ANSBFDYOIUZSNT-UHFFFAOYSA-N
• Complexity: 351
• Covalently-Bonded Unit Count: 1
• Exact Mass: 290.126029g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 290.126029g/mol
• Rotatable Bond Count: 3

Synthetic Use

Downstream Synthesis Route 1

• 864754-19-8
• 1350917-83-7

• 1350917-85-9

Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2011/149874, 2011, A2
Location in patent: Page/Page column 54-55

Downstream Synthesis Route 2

• 864754-19-8
• 1365174-19-1

• 1365174-61-3

Reference: [1]Current Patent Assignee: MERCK & CO INC - WO2012/36974, 2012, A1
Location in patent: Page/Page column 52-53

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