Methyl 2-bromo-5-iodobenzoate

Name: Methyl 2-bromo-5-iodobenzoate
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CAS No. 717880-58-5
Cat. No. CS-0037222
Purity≥97%
MDL No.MFCD01851253

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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 2-bromo-5-iodobenzoate|CS-0037222

Structure of 717880-58-5

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Description

Methyl 2-bromo-5-iodobenzoate is a dual-halogenated aromatic ester featuring bromo and iodo substituents at ortho and para positions relative to the ester group. This configuration enables selective cross-coupling reactions in palladium-catalyzed transformations, offering precise control over regiochemistry in complex molecule synthesis. The compound exhibits stability under standard conditions and facilitates efficient functionalization in medicinal chemistry and materials science applications.

Application

Methyl 2-bromo-5-iodobenzoate serves as a versatile dihalogenated aromatic building block for palladium-catalyzed cross-coupling reactions. The bromo and iodo substituents enable sequential functionalization via orthogonal reactivity, facilitating the construction of complex biaryl and heteroaryl architectures. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for iterative synthesis in medicinal chemistry and materials science applications.

General Information

CAS No. 717880-58-5
Cat. No. CS-0037222
Purity ≥97%
MDL No. MFCD01851253
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrIO₂
Molecular Weight 340.94
Synonym(s) 2-broMo-5-iodobenzoic acid Methyl ester
SMILES COC(=O)C1=C(C=CC(=C1)I)Br

Computational Chemistry Data

TPSA 26.3
LogP 2.8403
H_Acceptors 2
H_Donors 0
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
Precautionary Statements : P264-P270-P330

Quality Control

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-bromo-5-iodobenzoate

CAS No. 717880-58-5

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