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| | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Basic information |
| Product Name: | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid | | Synonyms: | ART-CHEM-BB B001273;Pyrazolo[1,5-a]pyrimidin-3-carboxylic acid;Pyrazolo[1,5-A]Pyrimidine-3-Carboxylic Acid(WX614223);AKOS B001273;TIMTEC-BB SBB006995;Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(I);Albb-005394;pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE) | | CAS: | 25940-35-6 | | MF: | C7H5N3O2 | | MW: | 163.13 | | EINECS: | | | Product Categories: | | | Mol File: | 25940-35-6.mol | ![Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Structure](CAS/GIF/25940-35-6.gif) |
| | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Chemical Properties |
| Melting point | 180°C | | density | 1.58±0.1 g/cm3(Predicted) | | storage temp. | 2-8°C | | pka | -1.71±0.41(Predicted) | | form | solid | | Appearance | Yellow to brown Solid | | Water Solubility | Soluble in water | | InChI | InChI=1S/C7H5N3O2/c11-7(12)5-4-9-10-3-1-2-8-6(5)10/h1-4H,(H,11,12) | | InChIKey | HNYVPKNVKSTVJO-UHFFFAOYSA-N | | SMILES | C12=C(C(O)=O)C=NN1C=CC=N2 | | CAS DataBase Reference | 25940-35-6(CAS DataBase Reference) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2916399090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
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ALFA
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| | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Usage And Synthesis |
| Uses | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid, is used as a chemicals, pharmaceutical intermediates, reagents. It is an important raw material and intermediate used in pharmaceuticals, agro based and dye stuff fields. | | Synthesis | The general procedure for the synthesis of pyrazolo[1,5-a]pyrimidine-3-carboxylic acid from ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate was as follows: to a mixture of ethyl pyrazolo[1,5-a]pyrimidine-3-carboxylate (3.15 g, 16.4 mmol) in ethanol (50 mL) and water (40 mL) was added an aqueous solution of 2 M potassium hydroxide (40 mL). The reaction mixture was stirred at 50 °C for 2 h, subsequently cooled to room temperature and concentrated under vacuum. The resulting mixture was adjusted to pH=2 with 1 M aqueous hydrochloric acid, at which time a white solid precipitated. The white solid product was collected by filtration to give 2.6 g (97% yield). The product was detected by LC-MS (ESI, negative ion mode), m/z: 162.1 [M-H]-. 1H NMR (600 MHz, DMSO-d6) δ (ppm): 9.26 (dd, J=7.0,1.7 Hz, 1H), 8.80 (dd, J=4.1,1.7 Hz, 1H), 8.58 (s, 1H), 7.26 ( dd, J=7.0,4.1 Hz, 1H). | | References | [1] Patent: WO2015/73267, 2015, A1. Location in patent: Paragraph 390
[2] Patent: CN104650092, 2017, B. Location in patent: Paragraph 0770-0771; 0776-0777 |
| | Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Preparation Products And Raw materials |
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