Name | 5-nitro-3-pyrazolecarboxylic acid |
Synonyms | AKOS B006514 TIMTEC-BB SBB004010 5-nitro-3-pyrazolecarboxylci acid 3-nitro-1H-pyrazole-5-carboxylate 5-nitro-3-pyrazolecarboxylic acid 5-NITRO-3-PYRAZOLECARBOXYLIC ACID 5-Nitro-1H-Pyrazole-3-Carboxylic Acid 5-Nitro-1H-pyrazole-3-carboxylic acid 3-nitro-1H-pyrazole-5-carboxylic acid tris(isopropylcyclopentadienyl)terbium 1H-Pyrazole-3-carboxylicacid,5-nitro-(9CI) |
CAS | 198348-89-9 |
EINECS | 607-884-2 |
InChI | InChI=1/C4H3N3O4/c8-4(9)2-1-3(6-5-2)7(10)11/h1H,(H,5,6)(H,8,9)/p-1 |
Molecular Formula | C4H3N3O4 |
Molar Mass | 157.08 |
Density | 1.840±0.06 g/cm3(Predicted) |
Melting Point | 188-190°C(lit.) |
Boling Point | 509.6±35.0 °C(Predicted) |
Flash Point | 262°C |
Vapor Presure | 3.31E-11mmHg at 25°C |
Appearance | off-white to yellowish crystalline powder |
pKa | 3.22±0.10(Predicted) |
Storage Condition | 2-8°C |
MDL | MFCD00192356 |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
Hazard Class | IRRITANT |
Application | 5-nitropyrazol-3-carboxylic acid is an organic intermediate that can be obtained by oxidation of 3-methyl-5-nitrothiazole as raw material. There are reports that it can be used to prepare MAP4K1 inhibitors. |
Preparation | 3-methyl -5-nitrothiazole (0.18 mol) is dissolved in concentrated H2SO4(300 mL), and Na2Cr2O7 · 2H2O(53 g,0.27 mol) is added dropwise to the solution, and the temperature is kept at 60-65°C. The reaction mixture was kept at this temperature for 8 hours, poured into ice (1kg), and extracted with ethyl acetate (3 × 250mL). The organic layer was washed with water, dried with MgSO4, the solvent was removed in vacuum, and the residue was recrystallized from H2O to give 3-nitropyrazol-5-carboxylic acid with a yield of 25g(88%). |