RARECHEM AL BO 0121
m-fluorophenylacetic acid
CAS: 331-25-9
Molecular Formula: C8H7FO2
RARECHEM AL BO 0121 - Names and Identifiers
| Name | m-fluorophenylacetic acid |
| Synonyms | RARECHEM AL BO 0121 (3-fluorophenyl)acetate 3-Fluorophenlacetic acid 3-fluoro-benzeneaceticaci m-fluorophenylacetic acid 3-FLUOROPHENYLACETIC ACID M-FLUOROPHENYLACETIC ACID Benzeneacetic acid, 3-fluoro- Acetic acid, (m-fluorophenyl)- Between fluorobenzeneacetic acid |
| CAS | 331-25-9 |
| EINECS | 206-360-7 |
| InChI | InChI=1/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)/p-1 |
| InChIKey | YEAUYVGUXSZCFI-UHFFFAOYSA-N |
RARECHEM AL BO 0121 - Physico-chemical Properties
| Molecular Formula | C8H7FO2 |
| Molar Mass | 154.14 |
| Density | 1.1850 (estimate) |
| Melting Point | 42-44 °C (lit.) |
| Boling Point | 151 °C |
| Flash Point | >230°F |
| Water Solubility | Slightly soluble in chloroform and methanol. Insoluble in water. |
| Vapor Presure | 0.00808mmHg at 25°C |
| Appearance | Bright light brown crystal |
| Color | White to Almost white |
| BRN | 775898 |
| pKa | 4.10±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| MDL | MFCD00004331 |
RARECHEM AL BO 0121 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R38 - Irritating to the skin R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes. S36 - Wear suitable protective clothing. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29163900 |
| Hazard Class | IRRITANT |
RARECHEM AL BO 0121 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| background | fluorophenylacetic acid is an important intermediate and plays an irreplaceable role in the synthesis of pharmaceutical and electronic materials. For example, m-fluorophenylacetic acid can be used in the preparation of anti-inflammatory drugs. For another example, 2,4, 5-fluorophenylacetic acid is a key intermediate in the preparation of the diabetic therapeutic drug sitagliptin. For another example, 2, 3-difluorophenylacetic acid can be used to prepare difluoronaphthol liquid crystal intermediates. |
| preparation | preparation of m-fluorophenylacetic acid: add 350 grams of 32% HCl and 250 grams of 3-fluoroaniline to the reaction bottle, heat and stir until dissolved. Cooling to -5~5 ℃,20g of tetramethylammonium chloride and 20g of copper chloride. Drops in acetone solution containing 300g of vinylidene chloride. Keep the temperature and slowly drop a solution containing 230g isopropyl nitrite and 200g acetone. Heat preservation reaction for 2 hours. The reaction is complete and quenched. Dichloromethane was added for extraction and distillation, and 1-(2,2, 2-trichloroethyl)-3-fluorobenzene 398g was collected. Under the protection of nitrogen, 500g of water and 60g of p-toluenesulfonic acid were added to the three-mouth bottle. Heat to 80~95 ℃. 300g of intermediate 1-(2,2, 2-trichloroethyl)-3-fluorobenzene were added dropwise. After dropping, keep warm for 8 hours. The reaction is complete. The cooling drops of the system are added to ice water for quenching. Filtration, washing with water, recrystallization with dichloroethane after drying to obtain 151.2g of pure interproduct fluorophenylacetic acid with HPLC purity greater than 99wt%. |
| use | as a pharmaceutical intermediate |
Last Update：2024-04-09 20:52:54
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