(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: 2025-09-02 17:37:48
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. ![(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan](/NewsImg/2023-09-21/6383091813460367816902960.jpg "(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan")
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. |
Computed Descriptors for (S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
| InChIKey | YLUHNGIWRCCQMQ-INIZCTEOSA-N |
| SMILES | O1CC[C@H](OC2=CC=C(CC3=CC(I)=CC=C3Cl)C=C2)C1 |
(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran manufacturer
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