(S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran - CAS 915095-89-5
Catalog: |
BB040223 |
Product Name: |
(S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran |
CAS: |
915095-89-5 |
Synonyms: |
(3S)-3-[4-[(5-Bromo-2-chlorophenyl)methyl]phenoxy]tetrahydrofuran; Empagliflozin Impurity I |
IUPAC Name: | (3S)-3-[4-[(5-bromo-2-chlorophenyl)methyl]phenoxy]oxolane |
Description: | (S)-3-(4-(5-bromo-2-chlorobenzyl)phenoxy)tetrahydrofuran is an impurity of Empagliflozin, a medication indicated for type 2 diabetes treatment. |
Molecular Weight: | 367.66 |
Molecular Formula: | C17H16BrClO2 |
Canonical SMILES: | C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)Br)Cl |
InChI: | InChI=1S/C17H16BrClO2/c18-14-3-6-17(19)13(10-14)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 |
InChI Key: | HUNLNKBDQXGMAP-INIZCTEOSA-N |
Boiling Point: | 459.1±45.0 °C at 760 mmHg |
Melting Point: | 49-51°C |
Density: | 1.4±0.1 g/cm3 |
Solubility: | Soluble in DMSO, Methanol |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
LogP: | 4.86100 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H351 (50%): Suspected of causing cancer [Warning Carcinogenicity]; H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P203, P264, P270, P273, P280, P301+P317, P318, P330, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480497-A | Synthesis method of empagliflozin key intermediate | 20210727 |
CN-113121476-A | Preparation process of empagliflozin intermediate | 20210402 |
CN-111253346-A | Synthetic method for preparing empagliflozin intermediate | 20200401 |
CN-111265512-A | Composition containing a mixture of benzyl benzene derivatives and uses thereof | 20200209 |
CN-112641773-A | Composition containing heterocyclic compound and use thereof | 20200108 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 366.00222 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 366.00222 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Furans
Customers Also Viewed
-
[891016-02-7]
ML-SI3
-
[91-04-3]
2,6-Bis(hydroxymethyl)-p-cresol
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
-
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
-
[44994-28-7]
N,N,N',N'-Tetramethyl-1,5-pentanediamine
-
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
INDUSTRY LEADERS TRUST OUR PRODUCTS