3,5-Difluoroanisole CAS 93343-10-3
3,5-Difluoroanisole Basic information
| Product Name: | 3,5-Difluoroanisole |
| Synonyms: | 3,5-two fluorineether;1,3-Difluoro-5-methoxybenzene, 3,5-Difluorophenyl methyl ether;1,3-difluoro-5-Methoxybenzene;3-difluoroanisile;3,5-Difluoroanisole,97%;3,5-DIFLUOROANISOLE;3,5-DIFLUORO-1-METHOXYBENZENE;Benzene, 1,3-difluoro-5-methoxy- |
| CAS: | 93343-10-3 |
| MF: | C7H6F2O |
| MW: | 144.12 |
| EINECS: | |
| Product Categories: | Aromatic Ethers;Anisole;Miscellaneous;Ethers;Organic Building Blocks;Oxygen Compounds;Other fluorin-contained compounds |
| Mol File: | 93343-10-3.mol |
3,5-Difluoroanisole Chemical Properties
| Boiling point | 145-148°C |
| density | 1.234 g/mL at 25 °C (lit.) |
| refractive index | n |
| Fp | 111 °F |
| storage temp. | Sealed in dry,2-8°C |
| form | Liquid |
| color | Clear colorless |
| Specific Gravity | 1.234 |
| BRN | 4966844 |
| CAS DataBase Reference | 93343-10-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi,F |
| Risk Statements | 10-36/37/38 |
| Safety Statements | 16-26-36/37/39-7/9 |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| Hazard Note | Flammable |
| HazardClass | 3 |
| PackingGroup | III |
| HS Code | 29093090 |
| Chemical Properties | clear colorless liquid |
| Uses | 3,5-Difluoroanisole is used in the preparation of indazole arylsulfonamides as allosteric CC-chemokine receptor 4 antagonists. Also used in the preparation of imidazo[1,5-a]pyrido[3,2-e]pyrazines and imidazo[1,5-a]quinoxalines as orally active phosphodiesterase 10A inhibitors. |
| General Description | The structure and vibrations of 3,5-difluoroanisole in first electronically excited state were studied by mass-analyzed resonant two-photon ionization technique as well as the quantum chemical calculations. |
| Synthesis | 2713-34-0 74-88-4 93343-10-3 To a stirred suspension of 3,5-difluorophenol (12.5 g, 96 mmol) and potassium carbonate (66.0 g, 480 mmol) in acetone (400 mL) was added methyl iodide (27 mL, 480 mmol) in a single addition. The reaction mixture was then heated to reflux at 60 °C for 18 hours. After cooling to room temperature, the excess solvent was evaporated under reduced pressure, 150 mL of water was added and extracted with ether (2 x 300 mL). The combined organic layers were washed sequentially with 0.1 M sodium hydroxide solution (100 mL) and water (100 mL), dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give 3,5-difluoroanisole (12.0 g, 80% yield) as a colorless oil.1H-NMR (400 MHz, CDCl3) δppm: 3.81 (s, 3H), 6.43- 6.46 (m, 3H). |
| References | [1] Tetrahedron Letters, 2004, vol. 45, # 1, p. 95 - 98 [2] Patent: WO2017/221092, 2017, A1. Location in patent: Paragraph 00138 [3] Patent: WO2017/221100, 2017, A1. Location in patent: Paragraph 00140 [4] Patent: US6149990, 2000, A |
3,5-Difluoroanisole Preparation Products And Raw materials
| Raw materials | 3,5-Difluorophenol-->Iodomethane-->Potassium carbonate-->Acetone |
| Preparation Products | 1H-INDAZOLE-3-(N-METHOXY-METHYL)CARBAMIDE |
