(2,5-dimethylphenyl)acetate
2,5-Dimethylphenylacetic acid
CAS: 13612-34-5
Molecular Formula: C10H12O2
(2,5-dimethylphenyl)acetate - Names and Identifiers
| Name | 2,5-Dimethylphenylacetic acid |
| Synonyms | ASISCHEM D13366 RARECHEM AL BO 0306 2,5-Xylylacetic acid 2,5-XYLYLACETIC ACID (2,4-XYLYL)ACETIC ACID (2,5-dimethylphenyl)acetate 2,5-Dimethylphenylacetic acid 2,5-DIMETHYLPHENYLACETIC ACID 2-(2,5-dimethylphenyl)acetic acid 2,5-Dimethylphenylacetic acid(2,5-Xylylacetic acid) |
| CAS | 13612-34-5 |
| EINECS | 237-097-6 |
| InChI | InChI=1/C10H12O2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)/p-1 |
(2,5-dimethylphenyl)acetate - Physico-chemical Properties
| Molecular Formula | C10H12O2 |
| Molar Mass | 164.2 |
| Density | 1.098±0.06 g/cm3(Predicted) |
| Melting Point | 128-130°C |
| Boling Point | 293.4±9.0 °C(Predicted) |
| Flash Point | 190.5°C |
| Vapor Presure | 0.000789mmHg at 25°C |
| Appearance | White powder |
| Color | Light beige |
| BRN | 2502313 |
| pKa | 4.31±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00014369 |
(2,5-dimethylphenyl)acetate - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
| HS Code | 29163990 |
(2,5-dimethylphenyl)acetate - Reference Information
| application | 2,5-dimethylphenylacetic acid is an important fine chemical intermediate. it is widely used in the fields of medicine and pesticides. in particular, it is the key intermediate of the new insecticide spiroethyl, which is the only insecticide with two-way absorption and conduction properties so far. |
| preparation method | vacuum and replace the system with nitrogen three times in a 250mL dry four-mouth bottle, then add 60mL of anhydrous tetrahydrofuran, 3.46g of magnesium chips (molecular weight 24.3,142.27mmol,1.1eq) and a small grain of iodine (15mg) in turn under the protection of nitrogen, raise the temperature to 60 ℃, and slowly add about one-tenth of 2 drops, tetrahydrofuran solution of 5-dimethylbenzyl chloride [20 g2, 5-dimethylbenzyl chloride (molecular weight 154.64,129.33mmol,1eq) dissolved in 30mL tetrahydrofuran], the temperature did not rise significantly, and stirred at this temperature for about 20 minutes. At this time, the temperature was observed to rise significantly to reach a reflux state. At the same time, the yellow color in the solution faded and turned off-white. Slowly add the remaining 2, 5-dimethylbenzyl chloride tetrahydrofuran solution, about 40 minutes of dripping. After dropping and keeping the temperature for 1 hour, the magnesium chips in the reaction solution have basically disappeared. The temperature of the reaction solution was reduced to 20 ℃, and the dry 56.91g carbon dioxide gas (molecular weight 44,1.29mol,10eq) was slowly introduced. After the reaction solution was passed, the temperature was kept at about 20 ℃ and the stirring was continued for 1 hour. 50mL of saturated ammonium chloride solution was added for extraction reaction. After tetrahydrofuran was removed by vacuum distillation, the aqueous phase was extracted three times with 40mL dichloromethane. The dichloromethane phase was combined and the dichloromethane phase was evaporated to dry under negative pressure to obtain 19.7g (164.2 molecular weight, 21.24g theoretically) white solid with 99.3% purity, I .e. 2, 5-dimethylphenylacetic acid, and the mass yield was 92.10%. (1H-NMR(CDCl3)δ:2.28(s,3H),2.31(s,3H),3.63(s,2H),7.01(m,2H),7.08(d,1H)). |
Last Update：2024-04-09 20:45:29
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