| Identification | More | [Name]
5-Pyrazolecarboxylic acid | [CAS]
1621-91-6 | [Synonyms]
1H-PYRAZOLE-3-CARBOXYLIC ACID
3-PYRAZOLECARBOXYLIC ACID
5-PYRAZOLECARBOXYLIC ACID
AKOS B000140
AKOS BB-9039
ART-CHEM-BB B000140
PYRAZOLE-3-CARBOXYLIC ACID
TIMTEC-BB SBB000005
1H-Pyrazole-3-carboxylic acid ,98％ | [Molecular Formula]
C4H4N2O2 | [MDL Number]
MFCD00077436 | [Molecular Weight]
112.09 | [MOL File]
1621-91-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
211°C | [Boiling point ]
417.1±18.0 °C(Predicted) | [density ]
1.524±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
3.98±0.10(Predicted) | [color ]
White | [λmax]
260nm(MeOH)(lit.) | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C4H4N2O2/c7-4(8)3-1-2-5-6-3/h1-2H,(H,5,6)(H,7,8) | [InChIKey]
KOPFEFZSAMLEHK-UHFFFAOYSA-N | [SMILES]
N1C=CC(C(O)=O)=N1 | [CAS DataBase Reference]
1621-91-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
38 | [Safety Statements ]
24/25 | [WGK Germany ]
WGK 3 | [HazardClass ]
IRRITANT | [HS Code ]
29331990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
White to light brown powder | [Uses]
1H-pyrazole-3-carboxylic Acid is a histone lysine demethylase KDM4C and proline racemase inhibitor. | [Synthesis]
The general procedure for the synthesis of pyrazole-3-carboxylic acid from 3-methylpyrazole was as follows: an aqueous solution of potassium permanganate (KMnO4, 40.9 g, 0.26 mol) was slowly added to a stirring solution of 3-methyl-1H-pyrazole (9.8 mL, 0.12 mol) dissolved in 0.5 L of water. The reaction mixture was heated to reflux and maintained for 5 hours. After completion of the reaction, the black suspension was cooled and filtered. The filtrate was concentrated to a smaller volume and acidified with 3 N hydrochloric acid (HCl). Subsequently, the precipitated white solid product was collected and washed with ethyl ether (Et2O) to give the final pyrazole-3-carboxylic acid in 100% yield. | [References]
[1] Journal of the American Chemical Society, 2000, vol. 122, # 44, p. 10810 - 10820
[2] Patent: WO2004/80999, 2004, A1. Location in patent: Page 43
[3] Russian Journal of Physical Chemistry, 1992, vol. 66, # 4, p. 463 - 465
[4] Zhurnal Fizicheskoi Khimii, 1992, vol. 66, # 4, p. 871 - 874
[5] Organic Mass Spectrometry, 1982, vol. 17, # 7, p. 299 - 303 |
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