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| | 2-Fluorophenylacetic acid Basic information |
| | 2-Fluorophenylacetic acid Chemical Properties |
| Melting point | 60-62 °C (lit.) | | Boiling point | 203.5°C (rough estimate) | | density | 1.1850 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Sparingly), Methanol (Slightly) | | pka | 4.01±0.10(Predicted) | | form | Solid | | color | Off-White | | BRN | 775955 | | InChI | InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11) | | InChIKey | RPTRFSADOICSSK-UHFFFAOYSA-N | | SMILES | C1(CC(O)=O)=CC=CC=C1F | | CAS DataBase Reference | 451-82-1(CAS DataBase Reference) | | NIST Chemistry Reference | O-fluorophenylacetic acid(451-82-1) | | EPA Substance Registry System | Benzeneacetic acid, 2-fluoro- (451-82-1) |
| Hazard Codes | Xi | | Risk Statements | 38-36/37/38 | | Safety Statements | 22-24/25-36/37/39-27-26 | | WGK Germany | 3 | | F | 13 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29163990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Skin Irrit. 2 |
| | 2-Fluorophenylacetic acid Usage And Synthesis |
| Chemical Properties | white to off-white shiny crystals or crystalline | | Uses | 2-Fluorophenylacetic acid was used:
- in the synthesis of thiazolino[3,2-c]pyrimidin-5,7-diones and N-[2-(3,4-dichlorophenyl)-ethyl]-N′-[2-(2-fluorophenyl)-ethyl]-ethane-1,2-diamine
- as chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy
| | General Description | 2-Fluorophenylacetic acid is chiral derivatizing agent for determination of enantiomeric composition of chiral, nonracemic compounds by 19F NMR spectroscopy. | | Synthesis | The Schlenk tube was heated under a high vacuum, pre-dried with calcium chloride, and filled with CO2 gas. Bis(4-methoxyphenyl)zinc magnesium chloride lithium chloride (12.8 ml, 0:39 M in THF, 5.0 mmol) was added, and CO2 was passed through the solution for 5 minutes. The reaction mixture was stirred at 25 °C for 6 hours. Diethyl ether (50 ml) was added, and the organic phase was extracted with 2M NaOH (3×50 ml). The combined aqueous phases were acidified with 2M HCl (pH <5) and extracted with diethyl ether (3×50 ml). The combined organic phases were dried over sodium sulfate, and the solvent was removed in vacuo. 2-Fluorophenylacetic acid was obtained in a yield of 100%.
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| | 2-Fluorophenylacetic acid Preparation Products And Raw materials |
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