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| | 3-Phenyl-1H-pyrazole-5-carboxylic acid Basic information |
| Product Name: | 3-Phenyl-1H-pyrazole-5-carboxylic acid | | Synonyms: | SALOR-INT L250023-1EA;TIMTEC-BB SBB006941;5-phenyl-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);1H-Pyrazole-3-carboxylic acid, 5-phenyl-;3-Carboxy-5-phenyl-1H-pyrazole, (3-Carboxy-1H-pyrazol-5-yl)benzene;5-Phenyl-1H-pyrazole-3-carboxylic acid 97%;5-phenyl-1H-Pyrazole-3-Carbocylic acid;3-Phenylpyrazole-5-carboxylicAcidHydra... | | CAS: | 5071-61-4 | | MF: | C10H8N2O2 | | MW: | 188.18 | | EINECS: | | | Product Categories: | | | Mol File: | 5071-61-4.mol |  |
| | 3-Phenyl-1H-pyrazole-5-carboxylic acid Chemical Properties |
| Melting point | 238-242 °C (dec.)(lit.) | | Boiling point | 496.5±33.0 °C(Predicted) | | density | 1.355±0.06 g/cm3 (20 ºC 760 Torr) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 3.92±0.10(Predicted) | | color | White to Light yellow to Light orange | | InChI | InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14) | | InChIKey | QBPUOAJBMXXBNU-UHFFFAOYSA-N | | SMILES | N1C(C2=CC=CC=C2)=CC(C(O)=O)=N1 |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-22 | | Safety Statements | 26-36 | | WGK Germany | 3 | | RTECS | UQ6437000 | | HazardClass | IRRITANT | | HS Code | 2933199090 |
| | 3-Phenyl-1H-pyrazole-5-carboxylic acid Usage And Synthesis |
| Definition | ChEBI: 3-phenyl-1H-pyrazole-5-carboxylic acid is a ring assembly and a member of pyrazoles. | | Synthesis | General procedure for the synthesis of 5-phenyl-1H-pyrazole-3-carboxylic acid from ethyl 5-phenylpyrazole-3-carboxylate: to a solution of ethyl 5-phenylpyrazole-3-carboxylate (3.4 g, 15.9 mmol) in methanol (40 mL) was added an aqueous sodium hydroxide solution (140 mL, 4 M). The reaction mixture was stirred at room temperature for 2 hours. The reaction mixture was concentrated under reduced pressure to remove methanol. The aqueous phase was acidified to pH=3 with aqueous hydrochloric acid (1M) and extracted with ethyl acetate. The organic phase was dried with anhydrous sodium sulfate, filtered and concentrated to give the crude product. The crude product was purified by silica gel column chromatography, and the target compound 5-phenyl-1H-pyrazole-3-carboxylic acid (2.4 g, 80.4% yield) was obtained after elution. Mass spectrum (ESI) m/z: 189.1 [M+H]+. | | References | [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 18, p. 3945 - 3951
[2] Patent: US2018/271846, 2018, A1. Location in patent: Paragraph 0101; 0116; 0117
[3] New Journal of Chemistry, 2011, vol. 35, # 4, p. 865 - 875
[4] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 21, p. 6209 - 6219 |
| | 3-Phenyl-1H-pyrazole-5-carboxylic acid Preparation Products And Raw materials |
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