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| | Pyrimidine-2-carboxylic acid Basic information |
| | Pyrimidine-2-carboxylic acid Chemical Properties |
| Melting point | 182-185°C | | Boiling point | 362.6±25.0 °C(Predicted) | | density | 1.403±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Soluble in ethanol, Dimethyl sulfoxide (DMSO), Dimethylformamide (DMF), and solution of Phosphate Buffered Saline (PBS). | | pka | 3.08±0.10(Predicted) | | form | powder to crystal | | color | White to Almost white | | λmax | 246nm(H2O (pH 7))(lit.) | | InChI | 1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9) | | InChIKey | ZFCHNZDUMIOWFV-UHFFFAOYSA-N | | SMILES | OC(=O)c1ncccn1 | | CAS DataBase Reference | 31519-62-7(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36/37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29335990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | Pyrimidine-2-carboxylic acid Usage And Synthesis |
| Description | 2-carboxy-Pyrimidine is a synthetic intermediate useful for pharmaceutical synthesis. | | Chemical Properties | White to off-white solid | | Uses | 2-carboxy-Pyrimidine is a synthetic intermediate. | | Synthesis | Synthesis of pyrimidine-2-carboxylic acid (11): pyrimidine-2-carbonitrile (10) (201 mg, 1.914 mmol) was dissolved in water (5 mL) under stirring conditions, followed by addition of KOH (214.3 mg, 3.83 mmol). The reaction mixture was heated to reflux for 3 hours. The progress of the reaction was monitored by thin layer chromatography (TLC) and after confirming the complete consumption of raw materials, the reaction mixture was slowly cooled to room temperature. The reaction mixture was neutralized with 2N HCl solution and subsequently the aqueous phase was removed by rotary evaporation to give the crude product. The crude product was extracted with ethyl acetate (EtOAc), the organic phases were combined and filtered through a diatomaceous earth pad. The filtrate was concentrated under reduced pressure to afford pyrimidine-2-carboxylic acid (11) (84 mg, 35.4% yield), which could be used in subsequent reactions without further purification.TLC conditions: 80% EtOAc/hexane (Rf: 0.05).1H NMR (400 MHz, CD3OD-d4): δ 8.83 (br s, 2H), 7.47 (t, J = 4.8 Hz, 1H). | | References | [1] Dalton Transactions, 2011, vol. 40, # 20, p. 5476 - 5482
[2] Journal of Organic Chemistry, 2015, vol. 80, # 5, p. 2676 - 2699
[3] Chemical Communications, 2016, vol. 52, # 54, p. 8459 - 8462
[4] Patent: WO2013/13238, 2013, A2. Location in patent: Page/Page column 49
[5] Patent: KR2015/128789, 2015, A. Location in patent: Paragraph 0818; 0820; 0821 |
| | Pyrimidine-2-carboxylic acid Preparation Products And Raw materials |
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