6-Bromobenzo[b]thiophene

• CAS: 17347-32-9
• Catalog Number: ACM17347329
• Category: Other Products
• Molecular Weight: 213.1g/mol
• Molecular Formula: C8H5BrS
• IUPAC Name: 6-bromo-1-benzothiophene
• Canonical SMILES: C1=CC(=CC2=C1C=CS2)Br
• InChI: InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
• InChI Key: OQIMJOXSDVGEBU-UHFFFAOYSA-N
• Complexity: 126
• Covalently-Bonded Unit Count: 1
• Exact Mass: 211.92953g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• Monoisotopic Mass: 211.92953g/mol
• Rotatable Bond Count: 0
• XLogP3: 3.6

Synthetic Use

Upstream Synthesis Route 1

• 19075-58-2

• 17347-32-9

Reference: [1] Journal of Medicinal Chemistry, 2016, vol. 59, # 1, p. 264 - 281

Upstream Synthesis Route 2

• 737802-11-8

• 17347-32-9

Reference: [1] Patent: WO2004/67529, 2004, A1, . Location in patent: Page 162

Upstream Synthesis Route 3

• 17347-29-4

• 17347-32-9

Reference: [1] Patent: WO2015/66371, 2015, A1, . Location in patent: Paragraph 00392-00393

Upstream Synthesis Route 4

• 19075-58-2

• 17347-32-9

Reference: [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 264 - 281

Downstream Synthesis Route 1

• 17347-32-9

• 6179-26-6

Reference: [1]Journal of the Chemical Society,1957,p. 2624,2628
[2]Patent: WO2015/66371,2015,A1
[3]Patent: WO2017/192304,2017,A1
[4]Patent: EP3421465,2019,A1
[5]Journal of Medicinal Chemistry,2019

Downstream Synthesis Route 2

• 17347-32-9
• 75-36-5

• 959631-71-1
• 959631-72-2

Reference: [1]Patent: WO2007/140174,2007,A2 .Location in patent: Page/Page column 26

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