Methyl 6-chloro-1H-indole-4-carboxylate

Name: Methyl 6-chloro-1H-indole-4-carboxylate
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CAS No. 1082040-57-0
Cat. No. CS-0131050
Purity≥97%
MDL No.MFCD11845461

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl 6-chloro-1H-indole-4-carboxylate|CS-0131050

Structure of 1082040-57-0

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General Information

CAS No. 1082040-57-0
Cat. No. CS-0131050
Purity ≥97%
MDL No. MFCD11845461
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClNO₂
Molecular Weight 209.63
Synonym(s) methyl 6-Chloroindole-4-carboxylate
SMILES O=C(C1=CC(Cl)=CC2=C1C=CN2)OC

Description

Methyl 6-chloro-1H-indole-4-carboxylate features a chlorinated indole core with a methyl ester at the C4 position, offering enhanced stability and solubility in organic solvents. This scaffold serves as a key building block for synthesizing bioactive indole derivatives, particularly in medicinal chemistry applications involving heterocyclic ring systems.

Application

Methyl 6-chloro-1H-indole-4-carboxylate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling direct functionalization at the C4 position via cross-coupling or nucleophilic substitution. The methyl ester group provides a handle for further derivatization, while the 6-chloro substituent offers orthogonal reactivity for palladium-catalyzed transformations. Bench-stable and readily purified by flash chromatography, it functions effectively in the synthesis of substituted indole scaffolds relevant to pharmaceutical development.

Safety Information

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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 42.09
LogP 2.6079
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Drug Discovery Cancer EZH2

Key Words

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Methyl 6-chloro-1H-indole-4-carboxylate

CAS No. 1082040-57-0

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