6-Ethynylisoquinoline

Name: 6-Ethynylisoquinoline
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1015070-57-1
Cat. No. CS-0158557
Purity≥98%
MDL No.MFCD12406191

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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General Information

CAS No. 1015070-57-1
Cat. No. CS-0158557
Purity ≥98%
MDL No. MFCD12406191
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₇N
Molecular Weight 153.18
Synonym(s) None
SMILES C#CC1=CC2=CC=NC=C2C=C1

Description

6-Ethynylisoquinoline delivers a reactive alkyne handle fused to a rigid, electron-rich isoquinoline scaffold. This configuration enables efficient copper-catalyzed azide-alkyne cycloaddition (CuAAC) for bioconjugation and materials assembly. The molecule exhibits excellent stability under standard conditions and integrates seamlessly into functionalized architectures requiring directional coupling.

Application

6-Ethynylisoquinoline serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted isoquinoline scaffolds. Its terminal alkyne functionality facilitates Sonogashira, Glaser, and click-type transformations with high reliability. The molecule exhibits excellent bench stability, mild purification requirements, and broad functional group tolerance, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

Route1
- 1105710-05-1
- ~85%
- In-stock
  
  1015070-57-1
References
- AMGEN INC. Patent: WO2009/11880 A2, 2009 ; Location in patent: Page/Page column 114-115 ; WO 2009/011880 A2

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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Computational Chemistry Data

TPSA 12.89
LogP 2.2161
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic heterocycle compounds Isoquinoline compounds

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Key Words

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6-Ethynylisoquinoline

CAS No. 1015070-57-1

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