| Identification | More | [Name]
3,5-Difluoroanisole | [CAS]
93343-10-3 | [Synonyms]
3,5-DIFLUORO-1-METHOXYBENZENE
3,5-DIFLUOROANISOLE
3,5-Difluoroanisole,97%
3,5-Difluoroanisole 98%
3,5-Difluoroanisole98%
Benzene, 1,3-difluoro-5-methoxy- | [Molecular Formula]
C7H6F2O | [MDL Number]
MFCD00042560 | [Molecular Weight]
144.12 | [MOL File]
93343-10-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless liquid | [Boiling point ]
145-148°C | [density ]
1.234 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.466(lit.)
| [Fp ]
111 °F
| [storage temp. ]
Flammables area | [form ]
Liquid | [color ]
Clear colorless | [Specific Gravity]
1.234 | [BRN ]
4966844 | [CAS DataBase Reference]
93343-10-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S7/9:Keep container tightly closed and in a well-ventilated place . | [RIDADR ]
UN 1993 3/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Flammable | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29093090 |
| Hazard Information | Back Directory | [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]
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 |
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