27006-76-4
5-chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CAS: 27006-76-4
Molecular Formula: C6H7ClN2O
27006-76-4 - Names and Identifiers
27006-76-4 - Physico-chemical Properties
| Molecular Formula | C6H7ClN2O |
| Molar Mass | 158.59 |
| Density | 1.31±0.1 g/cm3(Predicted) |
| Melting Point | 78-79°C |
| Boling Point | 255.7±35.0 °C(Predicted) |
| Flash Point | 108.4°C |
| Vapor Presure | 0.0161mmHg at 25°C |
| Appearance | powder to crystal |
| Color | White to Yellow to Orange |
| pKa | -0.60±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2-8°C |
| Refractive Index | 1.571 |
| MDL | MFCD00052538 |
| Physical and Chemical Properties | This product is colorless crystal, m. P. 76~77 ℃, insoluble in water, soluble in petroleum ether, benzene and other solvents. |
27006-76-4 - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R22 - Harmful if swallowed |
| 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 S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S22 - Do not breathe dust. |
| UN IDs | 2811 |
| HS Code | 29124990 |
| Hazard Class | IRRITANT |
27006-76-4 - Reference Information
| Preparation | 5-chloro-1, 3-dimethyl-1H-pyrazol-4-formaldehyde is a pharmaceutical intermediate, which can be prepared by reacting 1, 3-dimethyl-5-pyrazolone with phosphorus oxychloride and DMF. There are reports that it can be used to prepare insecticide 1, 3-dimethyl-1H-pyrazol-4-formic acid. report 1. add 7.5mL DMF into a 50mL three-mouth bottle, slowly add 20mL POCl3 drop at 0 ℃, continue stirring for 20min after dropping, slowly add 25mmol 1,3-dimethyl -5-pyrazolone, raise the temperature to 80~90 ℃ to continue the reaction, TLC tracks the reaction, waits for the basic reaction to be complete, cool to room temperature, slowly pour into 100mL of ice water, and let stand for 2 hours, first, the aqueous phase is extracted with 4 × 10mL ethyl acetate, and the resulting organic phase is washed with saturated NaHCO3 solution, combined with the organic phase, then dried with an appropriate amount of anhydrous MgSO4, filtered, decompressed, and slowly dried at low temperature. 5-chloro -1,3-dimethyl -1H-pyrazole -4-formaldehyde. reported 2. (1) 8.8g of methylhydrazine (0.19mol) was added dropwise to ethyl acetoacetate (10.0g,0.077mol) ethanol solution (20mL) under an ice bath at 0 ℃; After dropping, the temperature was raised to 78 ℃ for reflux and the reaction was carried out for 2 hours. After the reaction is over, the reaction solution is concentrated, and anhydrous ethanol is used to carry water to obtain 9.1g of 1,3-dimethyl -5-pyrazolone light yellow solid; The purity is 95% and the yield is 100%. (2) under an ice bath at 0 ℃, 54mL of phosphorus oxychloride is added dropwise to 18mL of N,N-dimethylformamide (DMF) solution; After dropping, it naturally rises to room temperature and adds 9.1g of 1,3-dimethyl -5-pyrazolone (0.08mol); After adding, raise the temperature to 90 ℃ for reaction for 1 hour. After the reaction is over, the reaction solution was reduced to room temperature and poured into ice water. After ethyl acetate extraction, organic phase drying, concentration and other steps to obtain 8.5g of 5-chloro-1, 3-dimethyl-1H-pyrazol-4-formaldehyde light yellow solid; The purity is 92% and the yield is 70%. |
| Uses | 1,3-dimethyl-5-chloro-4-aldol pyrazole is an intermediate in the synthesis of acarate. |
| production method | the preparation method is to add 918g(6.0mol) of phosphorus oxychloride to 316g(4.3mol)DMF at room temperature, release heat, stir for 30min at room temperature, add 450g of 1, 3-dimethylpyrazole -5-one to the mixed solution, stir and heat to 110~115 ℃ for 8h, cold to room temperature, slowly pour into a container containing 5000mL of water under stirring, precipitate solid after a few minutes, filter, and wash with water to obtain solid; The pH value of the filtrate is neutral with alkali, cooled to 0 ℃ and filtered, the two solids are combined, and the petroleum ether is recrystallized to obtain 525g of product. |
Last Update：2024-04-10 22:30:50
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