1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine

• CAS: 886547-94-0
• Catalog Number: ACM886547940
• Category: Other Products
• Molecular Weight: 384.3g/mol
• Molecular Formula: C19H21BN2O4S
• IUPAC Name: 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CC=N3)S(=O)(=O)C4=CC=CC=C4
• InChI: InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-15(16)11-8-12-21-17)27(23,24)14-9-6-5-7-10-14/h5-13H,1-4H3
• InChI Key: KZANVIJXSQABKR-UHFFFAOYSA-N
• Complexity: 641
• Covalently-Bonded Unit Count: 1
• Exact Mass: 384.131508g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 384.131508g/mol
• Rotatable Bond Count: 3

Synthetic Use

Upstream Synthesis Route 1

• 887115-53-9
• 73183-34-3

• 886547-94-0

Reference: [1] Patent: WO2007/76423, 2007, A2, . Location in patent: Page/Page column 53

Upstream Synthesis Route 2

• 880769-95-9
• 73183-34-3

• 886547-94-0

Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 18, p. 4818 - 4821

Upstream Synthesis Route 3

• 271-63-6

• 886547-94-0

Reference: [1] Patent: US2011/257187, 2011, A1,

Upstream Synthesis Route 4

• 880769-95-9
• 73183-34-3

• 886547-94-0

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 4818 - 4821

Downstream Synthesis Route 1

• 886547-94-0
• 3934-20-1

• 886547-96-2

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 4818 - 4821
[2]Patent: WO2006/50076,2006,A1 .Location in patent: Page/Page column 62-63
[3]Patent: WO2008/5457,2008,A2 .Location in patent: Page/Page column 103

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