8-Hydroxyquinoline-N-oxide

• CAS: 1127-45-3
• Catalog Number: ACM1127453
• Category: Other Products
• Molecular Weight: 161.16g/mol
• Molecular Formula: C9H7NO2
• IUPAC Name: 1-oxidoquinolin-1-ium-8-ol
• Canonical SMILES: C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-]
• InChI: InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
• InChI Key: FJKUOCCQEBLPNX-UHFFFAOYSA-N
• Complexity: 163
• Covalently-Bonded Unit Count: 1
• EC Number: 214-430-3
• Exact Mass: 161.047678g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 12
• Monoisotopic Mass: 161.047678g/mol
• NSC Number: 21656
• Rotatable Bond Count: 0
• UNII: TMI4LD989P
• XLogP3: 0.4

Synthetic Use

Upstream Synthesis Route 1

• 148-24-3

• 1127-45-3

Reference: [1] Naunyn-Schmiedeberg's Archives of Pharmacology, 1999, vol. 359, # 3, p. 168 - 177

Downstream Synthesis Route 1

• 1127-45-3

• 70125-16-5

Reference: [1] Journal of Chemical Sciences, 2010, vol. 122, # 6, p. 847 - 855
[2] Organic Process Research and Development, 2004, vol. 8, # 4, p. 663 - 665
[3] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 19, p. 4741 - 4749

Downstream Synthesis Route 2

• 1127-45-3

• 15450-76-7

Reference: [1] Canadian Journal of Chemistry, 2005, vol. 83, # 5, p. 460 - 470
[2] Journal of Fluorescence, 2018, vol. 28, # 5, p. 1121 - 1126

Downstream Synthesis Route 3

• 1127-45-3
• 100-34-5

• 63319-28-8

Reference: [1]Journal of the Chemical Society,1956,p. 614

Downstream Synthesis Route 4

• 1127-45-3
• 108-24-7

• 15450-72-3

Reference: [1]Canadian Journal of Chemistry,2005,vol. 83,p. 460 - 470
[2]Patent: WO2013/169964,2013,A1 .Location in patent: Paragraph 00265; 00267
[3]Transactions of the Kentucky Academy of Science,1956,vol. 17,p. 135,138

Downstream Synthesis Route 5

• 1127-45-3
• 75-03-6

• 103986-11-4

Reference: [1]Zhurnal Obshchei Khimii,1958,vol. 28,p. 2355,2358; engl. Ausg. S. 2393, 2395

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