2-Hydroxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

Name: 2-Hydroxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile
Brand: ChemScene
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CAS No. 15000-43-8
Cat. No. CS-0513492
Molecule weight186.17
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Hydroxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile|CS-0513492

Structure of 15000-43-8

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General Information

CAS No. 15000-43-8
Cat. No. CS-0513492
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆N₂O₂
Molecular Weight 186.17
Synonym(s) 4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
SMILES N#CC1=C(O)NC2=C(C=CC=C2)C1=O

Synthesis

Route1
- In-stock
  
  118-48-9
- 105-56-6
- ~82%
- 15000-43-8
References
- Freeman, George A.; Andrews III, C. Webster; Hopkins, Andrew L.; Lowell, Gina S.; Schaller, Lee T.; Cowan, Jill R.; Gonzales, Stephen S.; Koszalka, George W.; Hazen, Richard J.; Boone, Lawrence R.; Ferris, Rob G.; Creech, Katrina L.; Roberts, Grace B.; Short, Steven A.; Weaver, Kurt; Reynolds, David J.; Milton, John; Ren, Jingshan; Stuart, David I.; Stammers, David K.; Chan, Joseph H. Journal of Medicinal Chemistry, 2004 , vol. 47, # 24 p. 5923 - 5936
Route2
- 1026672-88-7
- ~89%
- 15000-43-8
References
- Detsi, Anastasia; Bardakos, Vassilios; Markopoulos, John; Igglessi-Markopoulou, Olga Journal of the Chemical Society - Perkin Transactions 1, 1996 , # 24 p. 2909 - 2913
Route3
- 154325-57-2
- ~92%
- 15000-43-8
References
- Ukrainets, I. V.; Taran, S. G.; Bezuglyi, P. A.; Kovalenko, S. N.; Turov, A. V.; Marusenko, N. A. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1993 , vol. 29, # 9 p. 1044 - 1047 Khimiya Geterotsiklicheskikh Soedinenii, 1993 , # 9 p. 1223 - 1226

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 76.88
LogP 1.10538
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds quinoline compounds

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2-Hydroxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

CAS No. 15000-43-8

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