Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5; ChemWhat Code: 427441
Identification
| Product Name | Methyl (2R)-2-fluoropropanoate |
| IUPAC Name | methyl (2R)-2-fluoropropanoate |
| Molecular Structure |  |
| CAS Registry Number | 146805-74-5 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | methyl (R)-2-fluoropropanoate(R)-2-fluoropropionic acid methyl estermethyl-(R)-2-fluoropropionate |
| Molecular Formula | C4H7FO2 |
| Molecular Weight | 106.096 |
| InChI | InChI=1S/C4H7FO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m1/s1 |
| InChI Key | MHAIQPNJLRLFLO-GSVOUGTGSA-N |
| Canonical SMILES | C[C@H](C(=O)OC)F |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2024/227818 | CONTINUOUS DEOXYFLUORINATION WITH SF4 | 2024 |
| CN112079755 | Preparation method of fluoride and intermediate thereof | 2020 |
Physical Data
| Appearance | Light yellow liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 108 | |
| 79 – 82 | 10.5011 – 12.0012 |
| 81 – 84 | 9.0009 – 15.0015 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts | 1H | chloroform-d1 | 400 |
| Chemical shifts | 19F | chloroform-d1 | 376 |
| Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5 HNMR |  |
| Methyl (2R)-2-fluoropropanoate CAS#: 146805-74-5 GC |  |
Route of Synthesis (ROS)
| Conditions | Yield |
| With sulfuryl fluoride; hydrogen fluoride In N,N-dimethyl-aniline at 95 – 105℃; Concentration; Large scale; | 95.1% |
| With sulfuryl fluoride; tributyl-amine at -10 – 20℃; Product distribution / selectivity; | 84% |
| With sulfuryl fluoride; triethylamine at 0 – 20℃; Product distribution / selectivity; | n/a |
| With DAST In dichloromethane at -78 – 15℃; Solvent; Temperature; Inert atmosphere; | 91.3% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Warning |
| GHS Hazard Statements | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 106.097 |
| logP | 0.634 |
| HBA | 2 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 26.3 |
| Rotatable Bond (RotB) | 2 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Commonly used as pesticide intermediates. |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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