2-Fluoroethyl 4-methylbenzenesulfonate

Bezeichnung:2-Fluoroethyl 4-methylbenzenesulfonate

CAS-Nr383-50-6

Englisch Name:2-Fluoroethyl 4-methylbenzenesulfonate

CBNumberCB7206867

SummenformelC9H11FO3S

Molgewicht218.25

MOL-Datei383-50-6.mol

2-Fluoroethyl 4-methylbenzenesulfonate physikalisch-chemischer Eigenschaften

Siedepunkt	140°C/1mmHg(lit.)
Dichte	1.290 g/cm3
Brechungsindex	1.5060 to 1.5100
Flammpunkt	> 70 °C
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Oil
Farbe	Clear Colourless to Pale Brown
InChI	InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey	XNRDLSNSMTUXBV-UHFFFAOYSA-N
SMILES	C(OS(C1=CC=C(C)C=C1)(=O)=O)CF
CAS Datenbank	383-50-6(CAS DataBase Reference)

Sicherheit

HS Code

2930909899

Gefahreninformationscode (GHS)

2-Fluoroethyl 4-methylbenzenesulfonate Chemische Eigenschaften,Einsatz,Produktion Methoden

Verwenden
2-Fluoroethyl Tosylate is an intermediate used in the preparation and pre-clinical evaluation of new class of high-affinity 18F-labeled PSMA ligands for detection of prostate cancer by positron emission tomography (PET) imaging.
Synthese

371-62-0

98-59-9

383-50-6

2-Fluoroethanol (1.00 mL, 16.9 mmol), p-toluenesulfonyl chloride (3.85 g, 20.2 mmol), N-methylmorpholine (9.30 mL, 84.5 mmol), and dichloromethane (50 mL) were added to the reaction vessel, and the reaction was stirred for 17 hours at room temperature. After completion of the reaction, water was added to the reaction system and extracted with ethyl acetate three times to combine the organic layers. The organic layer was washed with saturated brine and dried over anhydrous magnesium sulfate. After concentration under reduced pressure, the residue was purified by fast silica gel column chromatography (eluent: ethyl acetate/hexane=19:81→40:60) to afford fluoroethyl p-toluenesulfonate (3.79 g, 17.2 mmol, yield >100%) as a pale yellow liquid.1H NMR (600 MHz, CDCl3): δ 7.81 (d, J=8.4 Hz, 2H), δ 7.36 (d, J=8.4 Hz, 2H), 4.63-4.60 (m, 1H), 4.55-4.52 (m, 1H), 4.31-4.27 (m, 1H), 4.26-4.23 (m, 1H), 2.46 (s, 3H). lRMS (EI) Calculated value (C9H11F3O): 218.0, measured value: 218.0.
Einzelnachweise
[1] Patent: US2018/30074, 2018, A1. Location in patent: Paragraph 0188-0191
[2] Journal of Labelled Compounds and Radiopharmaceuticals, 2008, vol. 51, # 7, p. 286 - 292
[3] Patent: US2013/177501, 2013, A1. Location in patent: Paragraph 0168
[4] Patent: US9168317, 2015, B2. Location in patent: Page/Page column 25; 26
[5] Patent: US9314541, 2016, B2. Location in patent: Page/Page column 26

2-Fluoroethyl 4-methylbenzenesulfonate Upstream-Materialien And Downstream Produkte

2-Fluoroethyl 4-methylbenzenesulfonate Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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