7-Bromobenzo[b]thiophene

• CAS: 1423-61-6
• Catalog Number: ACM1423616
• Category: Thiophenes
• Molecular Weight: 213.1g/mol
• Molecular Formula: C8H5BrS
• Synonyms: 7-Bromobenzothiophene; 7-Bromo-1-Benzothiophene
• IUPAC Name: 7-bromo-1-benzothiophene
• Canonical SMILES: C1=CC2=C(C(=C1)Br)SC=C2
• InChI: InChI=1S/C8H5BrS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
• InChI Key: NOICDPBEDNMHQK-UHFFFAOYSA-N
• Boiling Point: 109 °C/10mmHg(lit.)
• 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

• 137105-52-3

• 1423-61-6

Reference: [1] Patent: US6436964, 2002, B1,

Upstream Synthesis Route 2

• 799766-06-6

• 1423-61-6

Reference: [1] Patent: WO2004/103941, 2004, A2, . Location in patent: Page 23

Upstream Synthesis Route 3

• 19075-59-3

• 1423-61-6

Reference: [1] European Journal of Medicinal Chemistry, 2017, vol. 125, p. 538 - 550

Upstream Synthesis Route 4

• 137105-52-3

• 1423-61-6

Reference: [1]Patent: US6436964,2002,B1

Downstream Synthesis Route 1

• 1423-61-6
• 458532-84-8

• 1034658-75-7

Reference: [1]Patent: WO2008/76704,2008,A1 .Location in patent: Page/Page column 12

Downstream Synthesis Route 2

• 1423-61-6
• 5419-55-6

• 628692-17-1

Reference: [1]Current Patent Assignee: ELI LILLY & CO - WO2008/76704, 2008, A1
Location in patent: Page/Page column 7-8
[2]Current Patent Assignee: ELI LILLY & CO - WO2008/76705, 2008, A1
Location in patent: Page/Page column 7

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