1,4-Dimethyl-1H-indole-3-carbaldehyde

Name: 1,4-Dimethyl-1H-indole-3-carbaldehyde
Brand: ChemScene
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CAS No. 170489-16-4
Cat. No. CS-0153397
Purity≥98%
MDL No.MFCD11505328

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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+
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1,4-Dimethyl-1H-indole-3-carbaldehyde|CS-0153397

Structure of 170489-16-4

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General Information

CAS No. 170489-16-4
Cat. No. CS-0153397
Purity ≥98%
MDL No. MFCD11505328
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁NO
Molecular Weight 173.21
Synonym(s) 1,4-dimethylindole-3-carbaldehyde
SMILES CC1=C2C(=CN(C)C2=CC=C1)C=O

Description

1,4-Dimethyl-1H-indole-3-carbaldehyde features a benzene-fused indole core with strategically positioned methyl groups enhancing solubility and steric profile. The aldehyde functionality enables direct coupling in C–C bond-forming reactions. This scaffold integrates readily into bioactive molecule design, offering improved metabolic stability compared to unsubstituted analogs.

Application

1,4-Dimethyl-1H-indole-3-carbaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The aldehyde functionality enables efficient coupling reactions, while the methylated indole core provides enhanced stability and favorable electronic properties. It functions effectively in reductive amination, Wittig, and Suzuki-type transformations, offering reliable access to substituted indole scaffolds commonly found in bioactive molecules. Its bench-stable nature and straightforward purification support scalable applications in drug discovery workflows.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 22
LogP 2.29922
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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1,4-Dimethyl-1H-indole-3-carbaldehyde

CAS No. 170489-16-4

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