(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

CAS NO.：915095-94-2
Empirical Formula: C17H16ClIO2
Molecular Weight: 414.67
MDL number: MFCD28098707
EINECS: 619-599-0
SAFETY DATA SHEET (SDS)
Update Date: 2024-09-12 21:58:09

What is (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran?

Description

(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran is a pharmaceutical intermediate compound that is used in the preparation of empagliflozin. Empagliflozin is an inhibitor of sodium-glucose co-transporter protein-2 (SGLT2), which is used in the treatment of type 2 diabetes.

Preparation

0.5 mol of raw material and 0.6 mol of aluminum chloride were added to 2 mol of methanol at a temperature of 20° C, and then 0.6 mol of triethylsilane was added to the mixed solution. The mixture was stirred at 25° C for 1 h.The conversion is determined by HPLC analysis. After the reaction is complete, it is extracted and distilled under reduced pressure.Finally, (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan was obtained through purification.

Properties of (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

Boiling point:	476.0±45.0 °C(Predicted)
Density	1.578±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.	2-8°C(protect from light)
solubility	DMSO, Methanol (Slightly, Sonicated)
form	Solid
color	White to Off-White
InChI	InChI=1S/C17H16ClIO2/c18-17-6-3-14(19)10-13(17)9-12-1-4-15(5-2-12)21-16-7-8-20-11-16/h1-6,10,16H,7-9,11H2/t16-/m0/s1
CAS DataBase Reference	915095-94-2

Safety information for (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.