4-Bromo-5-methoxy-1H-indole

Name: 4-Bromo-5-methoxy-1H-indole
Brand: ChemScene
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CAS No. 90858-86-9
Cat. No. CS-0041929
Purity≥98%
MDL No.MFCD12973810

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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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Structure of 90858-86-9

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Description

4-Bromo-5-methoxy-1H-indole is a halogenated indole scaffold featuring a bromine substituent at the 4-position and a methoxy group at the 5-position. This electron-rich heterocycle serves as a key building block in medicinal chemistry, enabling direct incorporation into bioactive molecules through cross-coupling reactions. The combination of halogen and methoxy functionalities provides enhanced reactivity and metabolic stability, facilitating efficient synthesis of targeted pharmaceutical candidates.

Application

4-Bromo-5-methoxy-1H-indole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo substituent and electron-donating methoxy group. The indole core provides a scaffold for heterocyclic diversification, while the functional groups offer orthogonal reactivity and favorable bench stability for routine synthesis.

General Information

CAS No. 90858-86-9
Cat. No. CS-0041929
Purity ≥98%
MDL No. MFCD12973810
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrNO
Molecular Weight 226.07
Synonym(s) 1H-Indole, 4-broMo-5-Methoxy-
SMILES COC1=C(Br)C2=C(NC=C2)C=C1

Computational Chemistry Data

TPSA 25.02
LogP 2.939
H_Acceptors 1
H_Donors 1
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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indole compounds

Key Words

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4-Bromo-5-methoxy-1H-indole

CAS No. 90858-86-9

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