| Identification | More | [Name]
QUINOXALINE-6-CARBOXYLIC ACID | [CAS]
6925-00-4 | [Synonyms]
6-QUINOXALINECARBOXYLIC ACID
AKOS BBS-00000436
AKOS BBS-00001971
IFLAB-BB F1716-0520
QUINOXALINE-6-CARBOXYLIC ACID
RARECHEM AM LA 0027
TIMTEC-BB SBB000185
CHINOXALIN-6-CARBONSAEURE
6-Quinoxalinecarboxylic acid, 95+%
6-Quinoxalinecarboxylic acid ,97% | [Molecular Formula]
C9H6N2O2 | [MDL Number]
MFCD01365834 | [Molecular Weight]
174.16 | [MOL File]
6925-00-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
224-229 °C (dec.) | [Boiling point ]
355.1±27.0 °C(Predicted) | [density ]
1.421±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMSO (Slightly), Methanol (Slightly, Sonicated) | [form ]
Solid | [pka]
3.22±0.30(Predicted) | [color ]
Light Brown to Dark Brown | [Detection Methods]
HPLC | [InChI]
InChI=1S/C9H6N2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,(H,12,13) | [InChIKey]
JGQDBVXRYDEWGM-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC(C(O)=O)=CC=2)N=CC=1 | [CAS DataBase Reference]
6925-00-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36 | [Safety Statements ]
26 | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [HS Code ]
29339900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Tan Solid | [Uses]
6-Quinoxalinecarboxylic Acid is an intermediate used in the production of antiprotozoal agents. | [Synthesis]
Stage 1: The compound (CAS:131543-46-9) was reacted with 3,4-diaminobenzoic acid in a mixed solvent of ethanol and acetic acid with glyoxal at 75 °C. After completion of the reaction, the resulting suspension was cooled to 5 °C and filtered. The collected wet cake of 6-quinoxaline carboxylic acid was washed with cold ethanol and subsequently dried under vacuum at 50 °C. | [References]
[1] Patent: US2007/179144, 2007, A1. Location in patent: Page/Page column 5; 6
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 4, p. 815 - 820
[3] Patent: US2009/286797, 2009, A1. Location in patent: Page/Page column 6
[4] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 14, p. 3771 - 3774
[5] European Journal of Medicinal Chemistry, 2012, vol. 48, p. 255 - 264 |
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