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

(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran Structure
CAS No.
915095-94-2
Chemical Name:
(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran
Synonyms
EMpagliflozin iMpurity C;(S)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene;]phenoxy}oxoL;oro-5-iodophenyL;(3S)-3-{4-[(2-chL;Englitin Impurity 28;Empagliflozin Impurity 110;Empagliflozin Intermediate1;(3S)-3-[4-[(2-Chloro-5-iodophenyl) methyl] phenc;1-chloro-2-(4-(cyclopentyloxy)benzyl)-4-iodobenzene
CBNumber:
CB12657939
Molecular Formula:
C17H16ClIO2
Molecular Weight:
414.67
MOL File:
915095-94-2.mol
MSDS File:
SDS
Modify Date:
2024/7/9 21:58:15

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

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
InChIKey YLUHNGIWRCCQMQ-INIZCTEOSA-N
SMILES O1CC[C@H](OC2=CC=C(CC3=CC(I)=CC=C3Cl)C=C2)C1
CAS DataBase Reference 915095-94-2

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338

(S)-3-(4-(2-Chloro-5-iodobenzyl)phenoxy)tetrahydrofuran Chemical Properties,Uses,Production

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

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

(3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan (S)-3-(4-(2-chloro-5-iodobenzyl)phenoxy)-tetrahydrofuran (S)-3-(4-(2-chloro-5-fluorobenzyl)phenoxy)-tetrahydrofuran (3S)-3-{4-[(2-chloro-5-iodophenyl)methyl]phenoxy}oxolane (3S)-3-[4-(2-chloro-5-iodobenzyl)-phenoxy]-tetrahydrofuran Furan, 3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-, (3S)- Empagliflozin Intermediate1 3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan (3S-3-(4)Chloro-5-Iodophenyl)Methyl)Phenoxy)Tetrahydro-Furan 1-chloro-2-(4-(cyclopentyloxy)benzyl)-4-iodobenzene Englitin Impurity 28 (3S)-3-{4-[(2-chL ]phenoxy}oxoL oro-5-iodophenyL (3S)-3-[4-[(2-CHLORO-5-IODOPHENYL)METHYL]PHENOXY]TETRAHYDRO-FURAN 915095-94-2 (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan(For export only) (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan ISO 9001:2015 REACH Empagliflozin Impurity 110 (3S)-3-[4-[(5-Iodo-2- Chlorophenyl) Methyl] Phenoxy] Tetrahydrofuran (3S)-3-[4-[(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-... EMpagliflozin iMpurity C (S)-4-iodo-1-chloro-2-(4-tetrahydrofuran-3-yloxy-benzyl)-benzene Empagliflozin Intermediate/ (3S)-3-[4-[(2-Chloro-5-Iodophenyl)Methyl]Phenoxy]Tetrahydro-Furan (3S)-3-[4-4(2-Chloro-5-iodophenyl)methyl]phenoxy]tetrahydro-furan (3S)-3-[4-[(2-Chloro-5-iodophenyl) methyl] phenc 915095-94-2 C17H16ClIO2 Empagliflozin Empagliflozin Intermediate 915095-94-2