Methyl 5-chloro-1H-indole-3-carboxylate

Name: Methyl 5-chloro-1H-indole-3-carboxylate
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CAS No. 172595-67-4
Cat. No. CS-0148295
Purity≥98%
MDL No.MFCD06203871

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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Methyl 5-chloro-1H-indole-3-carboxylate|CS-0148295

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General Information

CAS No. 172595-67-4
Cat. No. CS-0148295
Purity ≥98%
MDL No. MFCD06203871
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₈ClNO₂
Molecular Weight 209.63
Synonym(s) 5-CHLORO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER
SMILES O=C(C1=CNC2=C1C=C(Cl)C=C2)OC

Description

Methyl 5-chloro-1H-indole-3-carboxylate is a bench-stable, moisture-tolerant heterocyclic ester featuring a chlorinated indole core. This compound integrates readily into synthetic sequences requiring electron-deficient indole scaffolds, enabling efficient access to functionalized pharmaceutical intermediates and bioactive molecules through cross-coupling and nucleophilic substitution pathways.

Application

Methyl 5-chloro-1H-indole-3-carboxylate serves as a versatile building block in medicinal chemistry and synthetic organic chemistry. The molecule features a chlorine-substituted indole core with a methyl ester group at the 3-position, enabling diverse functionalization via cross-coupling, nucleophilic substitution, or further oxidation/reduction reactions. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient synthesis of complex heterocyclic scaffolds and pharmaceutical intermediates.

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 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

Key Words

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Methyl 5-chloro-1H-indole-3-carboxylate

CAS No. 172595-67-4

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