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Structure

8-Hydroxyquinaldine

CAS
826-81-3
Catalog Number
ACM826813
Category
Other Products
Molecular Weight
159.18g/mol
Molecular Formula
C10H9NO

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Specification

IUPAC Name
2-methylquinolin-8-ol
Canonical SMILES
CC1=NC2=C(C=CC=C2O)C=C1
InChI
InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
InChI Key
NBYLBWHHTUWMER-UHFFFAOYSA-N
Boiling Point
267.0 °C
Melting Point
73.8 °C
Complexity
160
Covalently-Bonded Unit Count
1
EC Number
212-562-6
Exact Mass
159.068414g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
12
LogP
2.33 (LogP)
Monoisotopic Mass
159.068414g/mol
NSC Number
58553
Rotatable Bond Count
0
UNII
7W631H5302
XLogP3
2.3

Upstream Synthesis Route 1

  • 18826-95-4
  • 95-55-6
  • 826-81-3
  • 3846-73-9

Reference: [1] Russian Journal of General Chemistry, 2016, vol. 86, # 7, p. 1613 - 1618[2] Zh. Obshch. Khim., 2016, vol. 86, # 7, p. 1135 - 1140,6

Downstream Synthesis Route 1

  • 123-91-1
  • 826-81-3
  • 14510-06-6

Reference: [1] Patent: US2009/54482, 2009, A1,

Downstream Synthesis Route 2

  • 826-81-3
  • 14510-06-6

Reference: [1] RSC Advances, 2015, vol. 5, # 129, p. 107012 - 107019

Downstream Synthesis Route 3

  • 826-81-3
  • 108-24-7
  • 27037-61-2

Reference: [1]Albrecht, Markus; Blau, Oliver; Witt, Karen; Wegelius, Elina; Nissinen, Maija; Rissanen, Kari; Froehlich, Roland
[Synthesis, 1999, # 10, p. 1819 - 1829]

Downstream Synthesis Route 4

  • 826-81-3
  • 100-39-0
  • 93315-49-2

Reference: [1]Current Patent Assignee: GUANGDONG UNIVERSITY OF TECHNOLOGY; UNIV DE PARIS VII - CN110041309, 2019, A
Location in patent: Paragraph 0077-0080

Downstream Synthesis Route 5

  • 826-81-3
  • 75-36-5
  • 26872-39-9

Reference: [1]Current Patent Assignee: ONXEO - EP2147912, 2010, A1
Location in patent: Page/Page column 9; 10; 11
[2]Current Patent Assignee: Novartis (w/o Sandoz); NOVARTIS AG - US2875126, 1956, A

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

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