| Identification | Back Directory | [Name]
INDEX NAME NOT YET ASSIGNED | [CAS]
796729-03-8 | [Synonyms]
4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
4H-Pyrrolo[1,2-b]pyrazole-2-carboxylic acid, 5,6-dihydro- | [Molecular Formula]
C7H8N2O2 | [MDL Number]
MFCD11846936 | [MOL File]
796729-03-8.mol | [Molecular Weight]
152.15 |
| Chemical Properties | Back Directory | [Boiling point ]
381.6±30.0 °C(Predicted) | [density ]
1.55 | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.12±0.20(Predicted) | [color ]
Light Brown to Brown | [InChI]
InChI=1S/C7H8N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h4H,1-3H2,(H,10,11) | [InChIKey]
CSOYACNIOQHFQZ-UHFFFAOYSA-N | [SMILES]
N1=C(C(O)=O)C=C2CCCN12 |
| Hazard Information | Back Directory | [Synthesis]
General Steps:
Example 162a 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid 162a
To a 25 mL round-bottomed flask equipped with a reflux condenser was added ethyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylate (540 mg, 3.0 mmol), 2 N aqueous sodium hydroxide solution (3.5 mL), and 1,4-dioxane (3.0 mL). The reaction mixture was heated to reflux at 65 °C for 2.5 hours. Upon completion of the reaction, the system was cooled to room temperature and the pH was adjusted to 2-3 with concentrated hydrochloric acid.The precipitated solid was collected by filtration to afford the target product 162a (260 mg, 57% yield) as a yellow solid.MS-ESI: [M + H]+ 153.3. | [References]
[1] Patent: US2013/116246, 2013, A1. Location in patent: Paragraph 0581
[2] Patent: EP1241170, 2002, A2. Location in patent: Page 59 |
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