Methyl (S)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

CAS No. 142569-69-5
Cat. No. CS-0006589
Molecule weight457.95
Purity≥95%
MDL No.None

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Methyl (S)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate|CS-0006589

Structure of 142569-69-5

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General Information

CAS No. 142569-69-5
Cat. No. CS-0006589
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₈H₂₄ClNO₃
Molecular Weight 457.95
Synonym(s) [R-(E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoicacidmethylester
SMILES O=C(OC)C1=CC=CC=C1CC[C@@H](C2=CC=CC(/C=C/C3=NC4=CC(Cl)=CC=C4C=C3)=C2)O

Description

Methyl (S)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate features a chiral benzoate ester scaffold integrating a sterically defined hydroxyl-bearing side chain with a conjugated quinoline-vinyl-aryl system. This configuration enables precise spatial control in molecular recognition and binding events, particularly relevant in medicinal chemistry screening. The compound exhibits enhanced solubility in organic solvents and stability under standard bench conditions, facilitating direct use in synthesis workflows without prior purification.

Synthesis

Route1
- 133791-17-0
- ~69%
- In-stock
  
  142569-69-5
References
- CHEMAGIS LTD. Patent: US2006/223999 A1, 2006 ; Location in patent: Page/Page column 4 ;
Route2
- 149968-11-6
- ~64%
- In-stock
  
  142569-69-5
References
- Merck Frosst Canada, Inc. Patent: US5212180 A1, 1993 ; US 5212180 A

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

TPSA 59.42
LogP 6.5114
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 7

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Olefins

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds quinoline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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Methyl (S)-2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate

CAS No. 142569-69-5

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