Methyl 2-hydroxy-5-iodobenzoate

Name: Methyl 2-hydroxy-5-iodobenzoate
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CAS No. 4068-75-1
Cat. No. CS-0131375
Purity≥96%
MDL No.MFCD00016462

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Type	HazMat Fee
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 2-hydroxy-5-iodobenzoate|CS-0131375

Structure of 4068-75-1

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General Information

CAS No. 4068-75-1
Cat. No. CS-0131375
Purity ≥96%
MDL No. MFCD00016462
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇IO₃
Molecular Weight 278.05
Synonym(s) Methyl 5-iodosalicylate
SMILES O=C(OC)C1=CC(I)=CC=C1O

Description

Methyl 2-hydroxy-5-iodobenzoate features a strategically positioned hydroxyl group and iodine atom on the aromatic ring, enabling selective functionalization in cross-coupling reactions. This ortho-hydroxy-iodo substitution pattern enhances reactivity in palladium-catalyzed transformations while maintaining bench stability under standard conditions.

Application

Methyl 2-hydroxy-5-iodobenzoate serves as a versatile building block in transition-metal-catalyzed cross-coupling reactions, enabling efficient access to substituted phenolic scaffolds. The ortho-hydroxyl group provides a directing effect in palladium-catalyzed functionalizations, while the iodide moiety ensures high reactivity in Suzuki, Stille, and Negishi couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthesis of complex aromatic architectures in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

TPSA 46.53
LogP 1.7834
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Phenol

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-hydroxy-5-iodobenzoate

CAS No. 4068-75-1

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