Methyl 4-amino-3-iodobenzoate

Name: Methyl 4-amino-3-iodobenzoate
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CAS No. 19718-49-1
Cat. No. CS-W007631
Purity≥98%
MDL No.MFCD00090423

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Methyl 4-amino-3-iodobenzoate|CS-W007631

Structure of 19718-49-1

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General Information

CAS No. 19718-49-1
Cat. No. CS-W007631
Purity ≥98%
MDL No. MFCD00090423
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈INO₂
Molecular Weight 277.06
Synonym(s) Methyl 4-amino-3-iodobenzozte
SMILES COC(=O)C1=CC(I)=C(N)C=C1

Description

Methyl 4-amino-3-iodobenzoate features a para-amino group and a meta-iodo substituent on the aromatic ring, enabling efficient cross-coupling reactions. The ester functionality provides solubility in common organic solvents and facilitates downstream derivatization. This bench-stable reagent integrates readily into synthetic sequences requiring halogenated aniline precursors.

Application

Methyl 4-amino-3-iodobenzoate serves as a versatile building block in medicinal chemistry and cross-coupling synthesis. The iodine moiety enables reliable Suzuki, Stille, and Negishi couplings, while the amino and ester groups offer orthogonal functionalization potential. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient access to substituted aromatic scaffolds for API development.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

TPSA 52.32
LogP 1.66
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Iodide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-3-iodobenzoate

CAS No. 19718-49-1

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