1-(Isoquinolin-1-yl)ethan-1-one

Name: 1-(Isoquinolin-1-yl)ethan-1-one
Brand: ChemScene
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CAS No. 58022-21-2
Cat. No. CS-0098097
Purity≥97%
MDL No.MFCD08062665

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(Isoquinolin-1-yl)ethan-1-one|CS-0098097

Structure of 58022-21-2

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Description

1-(Isoquinolin-1-yl)ethan-1-one features a fused heteroaromatic core paired with a ketone-bearing side chain, enabling direct integration into transition-metal-catalyzed cross-coupling reactions. This scaffold delivers enhanced solubility in organic media and exhibits bench-stable behavior under standard conditions.

Application

1-(Isoquinolin-1-yl)ethan-1-one serves as a versatile building block for isoquinoline-based scaffolds, enabling direct functionalization at the C1 position. Its ketone functionality facilitates nucleophilic addition, reductive amination, and condensation reactions, supporting the synthesis of biologically relevant heterocycles. The compound exhibits good bench stability and is compatible with standard purification techniques, making it suitable for iterative synthetic workflows in medicinal chemistry and process development.

General Information

CAS No. 58022-21-2
Cat. No. CS-0098097
Purity ≥97%
MDL No. MFCD08062665
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₉NO
Molecular Weight 171.20
Synonym(s) 1-(Isoquinolin-1-yl)ethanone
SMILES CC(C1=NC=CC2=C1C=CC=C2)=O

Computational Chemistry Data

TPSA 29.96
LogP 2.4374
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Key Words

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1-(Isoquinolin-1-yl)ethan-1-one

CAS No. 58022-21-2

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