2-Bromo-9,9'-spirobifluorene

• CAS: 171408-76-7
• Catalog Number: ACM171408767-4
• Category: Other
• Molecular Weight: 395.3
• Molecular Formula: C25H15Br
• Synonyms: 9,9'-Spirobi[9H-fluorene],2'-bromo;2-BROMO-9,9''-SPIROBIFLUOROENE;2-Bromo-9,9'-spirobi[9H-fluorene];2-Bromo-9,9'-spirobi;2-BroMo-9,9'-spirobiflu;2-BSF;2-BroMo-9,9'-spirobifluoren;2-broMospirofluorene
• IUPAC Name: 2-bromo-9,9'-spirobi[fluorene]
• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)Br
• InChI: InChI=1S/C25H15Br/c26-16-13-14-20-19-9-3-6-12-23(19)25(24(20)15-16)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H
• InChI Key: ONCCVJKFWKAZAE-UHFFFAOYSA-N
• Boiling Point: 182.0 - 186.0 °C
• Melting Point: 517.2 ± 29.0 °C
• Density: 1.52 ± 0.1 g/ml
• Complexity: 518
• Covalently-Bonded Unit Count: 1
• EC Number: 605-609-0
• Exact Mass: 394.03571g/mol
• Formal Charge: 0
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 26
• Monoisotopic Mass: 394.03571g/mol
• Rotatable Bond Count: 0
• XLogP3: 7.1

Synthetic Use

Upstream Synthesis Route 1

• 3096-56-8

• 171408-76-7

Reference: [1] Tetrahedron, 2015, vol. 70, # 36, p. 6337 - 6351

Upstream Synthesis Route 2

• 236389-20-1

• 171408-76-7

Reference: [1] Patent: EP2343277, 2011, A2, . Location in patent: Page/Page column 44-45

Upstream Synthesis Route 3

• 583-55-1
• 3096-56-8
• 100-58-3

• 171408-76-7

Reference: [1] Patent: CN103333204, 2016, B, . Location in patent: Paragraph 0030; 0031; 0032

Upstream Synthesis Route 4

• 3096-56-8

• 171408-76-7

Reference: [1]Thiery, Sébastien; Declairieux, Céline; Tondelier, Denis; Seo, Gijun; Geffroy, Bernard; Jeannin, Olivier; Métivier, Rémi; Rault-Berthelot, Joëlle; Poriel, Cyril
[Tetrahedron, 2015, vol. 70, # 36, p. 6337 - 6351]

Upstream Synthesis Route 5

• 236389-20-1

• 171408-76-7

Reference: [1]Current Patent Assignee: LG CHEM CO.,LTD. - EP2343277, 2011, A2
Location in patent: Page/Page column 44-45