(S)-2-(4,5-Dihydro-4-isopropyl-2-oxazolyl)quinoline
Product Information
Molecular Formula
C15H16N2O
Molecular Weight
240.30
Description
(S)-2-(4,5-Dihydro-4-isopropyl-2-oxazolyl)quinoline is a chiral nitrogen ligand for enantioselective synthesis.
Synonyms
(S)-i-PrQuinox
IUPAC Name
(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
SMILES
CC(C)[C@H]1COC(=N1)c2ccc3ccccc3n2
InChI
InChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1
InChI Key
CCXYFOHSQUOJAN-CQSZACIVSA-N
Melting Point
75-80 °C
Flash Point
Not applicable
Purity
97%
Storage
Inert atmosphere. Keep cold.
Safety Information
Hazards
H315 - H319
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Signal Word
Warning
Computed Properties
XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
240.126263138 g/mol
Monoisotopic Mass
240.126263138 g/mol
Topological Polar Surface Area
34.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
327
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| AU-2015274967-A1 | Processes for preparing antiviral compounds | 2014-06-11 |
| CN-106488920-A | The preparation method of antiviral compound | 2014-06-11 |
| EP-3154984-B1 | Processes for preparing antiviral compounds | 2014-06-11 |
| ES-2690868-T3 | Processes to prepare antiviral compounds | 2014-06-11 |
| JP-2017517541-A | Process for preparing antiviral compounds | 2014-06-11 |
| JP-2018052985-A | Process for preparing antiviral compounds | 2014-06-11 |
| JP-2019178179-A | Process for preparing antiviral compounds | 2014-06-11 |
| JP-6295348-B2 | Process for preparing antiviral compounds | 2014-06-11 |
| KR-101908642-B1 | Processes for preparing antiviral compounds | 2014-06-11 |
| KR-20170015493-A | Processes for preparing antiviral compounds | 2014-06-11 |
