| Identification | Back Directory | [Name]
fluoroMethyl 4-Methylbenzenesulfonate | [CAS]
114435-86-8 | [Synonyms]
Fluoromethyl p-Toluenesulfonate
luoroMethyl 4-Methylbenzenesulfonate
fluoroMethyl 4-Methylbenzenesulfonate
Fluoromethyl 4-methylbenzenesulfonate 97+%
Methanol, fluoro-, 4-methylbenzenesulfonate
Methanol, 1-fluoro-, 1-(4-methylbenzenesulfonate) | [EINECS(EC#)]
810-390-1 | [Molecular Formula]
C8H9FO3S | [MDL Number]
MFCD20482732 | [MOL File]
114435-86-8.mol | [Molecular Weight]
204.22 |
| Chemical Properties | Back Directory | [Boiling point ]
302.1±22.0 °C(Predicted) | [density ]
1.282±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
liquid | [color ]
Colourless | [InChI]
InChI=1S/C8H9FO3S/c1-7-2-4-8(5-3-7)13(10,11)12-6-9/h2-5H,6H2,1H3 | [InChIKey]
RFCGZPLGJZELOK-UHFFFAOYSA-N | [SMILES]
C(OS(C1=CC=C(C)C=C1)(=O)=O)F |
| Hazard Information | Back Directory | [Synthesis]
Methylene ditosylate (100 mg, 0.28 mmol) and caesium fluoride (213 mg, 1.4 mmol) were dissolved in tert-amyl alcohol (5 mL) and irradiated in a microwave for 15 minutes at 90 °C. The reaction was allowed to cool and the tert-amyl alcohol was removed under reduced pressure, ice-cold diethyl ether was added and the suspension filtered, and then washed with plenty of ice-cold diethyl ether. The filtrate was concentrated under reduced pressure to yield Fluoromethyl 4-Methylbenzenesulfonate as a colourless oil (49 mg, 88% yield). | [References]
[1] Tetrahedron Letters, 2018, vol. 59, # 17, p. 1635 - 1637
[2] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 18, p. 3956 - 3960
[3] Journal of Labelled Compounds and Radiopharmaceuticals, 2003, vol. 46, # 6, p. 555 - 566
[4] ChemMedChem, 2016, vol. 11, # 1, p. 108 - 118
[5] Patent: WO2012/40133, 2012, A2. Location in patent: Page/Page column 36-37 |
|
|