5-Bromo-1-triisopropylsilanyl-1H-pyrrolo[2,3-b]pyridine

• CAS: 858116-66-2
• Catalog Number: ACM858116662
• Category: Other Products
• Molecular Weight: 353.37g/mol
• Molecular Formula: C16H25BrN2Si
• IUPAC Name: (5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• Canonical SMILES: CC(C)[Si](C(C)C)(C(C)C)N1C=CC2=CC(=CN=C21)Br
• InChI: InChI=1S/C16H25BrN2Si/c1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19/h7-13H,1-6H3
• InChI Key: UJUSITKTVXDVLQ-UHFFFAOYSA-N
• Complexity: 311
• Covalently-Bonded Unit Count: 1
• Exact Mass: 352.09704g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 20
• Monoisotopic Mass: 352.09704g/mol
• Rotatable Bond Count: 4

Synthetic Use

Upstream Synthesis Route 1

• 13154-24-0

• 858116-66-2

Reference: [1] Patent: WO2005/103050, 2005, A2, . Location in patent: Page/Page column 180

Upstream Synthesis Route 2

• 13154-24-0
• 183208-35-7

• 858116-66-2

Reference: [1] Patent: EP2070928, 2009, A1, . Location in patent: Page/Page column 101-102

Downstream Synthesis Route 1

• 858116-66-2

• 98549-88-3

Reference: [1] Patent: CN107434807, 2017, A, . Location in patent: Paragraph 0056-0059; 0080-0083; 0102-0106

Downstream Synthesis Route 2

• 858116-66-2

• 1093759-49-9
• 868387-37-5

Reference: [1]Current Patent Assignee: VERTEX PHARMACEUTICALS (OLD) - WO2005/103050, 2005, A2
Location in patent: Page/Page column 180-189

Downstream Synthesis Route 3

• 858116-66-2

• 1235865-75-4

Reference: [1]Patent: WO2011/150016,2011,A1

Downstream Synthesis Route 4

• 858116-66-2

• 1235865-77-6

Reference: [1]Patent: WO2011/150016,2011,A1

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