3-[2-(Trifluoromethyl)phenyl]propionic acid
3-[o-(α,α,α-trifluorotolyl)]propionic acid
CAS: 94022-99-8
Molecular Formula: C10H9F3O2
3-[2-(Trifluoromethyl)phenyl]propionic acid - Names and Identifiers
| Name | 3-[o-(α,α,α-trifluorotolyl)]propionic acid |
| Synonyms | Cinacalcet Impurity 43 3-[2-(Trifluoromethyl)phenyl]p 2-(Trifluoromethyl)benzenepropanoic acid 3-[o-(α,α,α-trifluorotolyl)]propionic acid 3-[2-(Trifluoromethyl)phenyl]propionic acid 3-[2-(trifluoromethyl)phenyl]propanoic acid 3-[2-(Trifluoromethyl)phenyl]propanoic acid 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionicacid 3-[o-(alpha,alpha,alpha-trifluorotolyl)]propionic acid 3-[O-(Alpha,Alpha,Alpha-Trifluorotolyl)]Propionic Acid 2-(2-Carboxyethyl)benzotrifluoride, 3-[2-(Trifluoromethyl)phenyl]propionic acid |
| CAS | 94022-99-8 |
| EINECS | 301-594-7 |
| InChI | InChI=1/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15) |
| InChIKey | YTDVNFDGHHHPEE-UHFFFAOYSA-N |
3-[2-(Trifluoromethyl)phenyl]propionic acid - Physico-chemical Properties
| Molecular Formula | C10H9F3O2 |
| Molar Mass | 218.17 |
| Density | 1.307±0.06 g/cm3(Predicted) |
| Melting Point | 84-88°C |
| Boling Point | 266.9±35.0 °C(Predicted) |
| Flash Point | 115.2°C |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00418mmHg at 25°C |
| Appearance | Solid |
| Color | White |
| pKa | 4.53±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.474 |
| Use | This product is for scientific research only and shall not be used for other purposes. |
3-[2-(Trifluoromethyl)phenyl]propionic acid - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - 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. S36/37 - Wear suitable protective clothing and gloves. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29163990 |
| Hazard Note | Harmful |
3-[2-(Trifluoromethyl)phenyl]propionic acid - Introduction
3-[o-(α,α,α-trifluorotolyl)]propionic acid is an organic compound with the chemical formula C10H9F3O2.
Nature:
-Appearance: Colorless or white crystalline powder
-melting point: 78-82 ℃
-Boiling point: 344.4 ℃
-Density: 1.33g/cm³
-Solubility: Almost insoluble in water, soluble in organic solvents
Use:
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid can be used as an intermediate for non-steroidal anti-inflammatory drugs and analgesics.
-It is often used in drug synthesis and the production of organic reagents.
Method:
3-[o-(α,α,α-trifluorotolyl)]propionic acid can be prepared by reacting fluorinated benzyl alcohol with bromopropionic acid. Specific steps include:
1. reacting benzyl alcohol with brominated sulfoxide to obtain trifluoromethyl anisole;
2. reacting trifluoromethyl anisole with cesium chloride in DMF solution to generate trifluoromethyl phenyl cesium chloride;
3. Trifluoromethylphenylcesium chloride reacts with sodium propionate in DMF solution to generate 3-[o-(α,α,α-trifluorotolyl)]propionic acid.
Safety Information:
3-[o-(α,α,α-trifluorotolyl)]propionic acid is an organic compound. Pay attention to the following matters when using it:
-The compound may be irritating to the eyes, respiratory system and skin. Use should wear suitable protective equipment to avoid contact with eyes, skin and respiratory tract.
-During operation, care should be taken to avoid inhaling aerosols or dust. It should be operated in a well-ventilated area and avoid contact with substances that may cause a fire.
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid is a flammable substance and should be kept away from open flames and high temperatures.
-After invading the human body, measures should be taken in time to deal with it and seek medical treatment immediately.
Nature:
-Appearance: Colorless or white crystalline powder
-melting point: 78-82 ℃
-Boiling point: 344.4 ℃
-Density: 1.33g/cm³
-Solubility: Almost insoluble in water, soluble in organic solvents
Use:
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid can be used as an intermediate for non-steroidal anti-inflammatory drugs and analgesics.
-It is often used in drug synthesis and the production of organic reagents.
Method:
3-[o-(α,α,α-trifluorotolyl)]propionic acid can be prepared by reacting fluorinated benzyl alcohol with bromopropionic acid. Specific steps include:
1. reacting benzyl alcohol with brominated sulfoxide to obtain trifluoromethyl anisole;
2. reacting trifluoromethyl anisole with cesium chloride in DMF solution to generate trifluoromethyl phenyl cesium chloride;
3. Trifluoromethylphenylcesium chloride reacts with sodium propionate in DMF solution to generate 3-[o-(α,α,α-trifluorotolyl)]propionic acid.
Safety Information:
3-[o-(α,α,α-trifluorotolyl)]propionic acid is an organic compound. Pay attention to the following matters when using it:
-The compound may be irritating to the eyes, respiratory system and skin. Use should wear suitable protective equipment to avoid contact with eyes, skin and respiratory tract.
-During operation, care should be taken to avoid inhaling aerosols or dust. It should be operated in a well-ventilated area and avoid contact with substances that may cause a fire.
- 3-[o-(α,α,α-trifluorotolyl)]propionic acid is a flammable substance and should be kept away from open flames and high temperatures.
-After invading the human body, measures should be taken in time to deal with it and seek medical treatment immediately.
Last Update：2024-04-09 02:00:49
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