Dimethyl 4,6-dihydroxyisophthalate

Name: Dimethyl 4,6-dihydroxyisophthalate
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CAS No. 52959-28-1
Cat. No. CS-0199151
Molecule weight226.18
Purity≥98%
MDL No.None

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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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Dimethyl 4,6-dihydroxyisophthalate|CS-0199151

Structure of 52959-28-1

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General Information

CAS No. 52959-28-1
Cat. No. CS-0199151
Purity ≥98%
MDL No. None
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₆
Molecular Weight 226.18
Synonym(s) N-HydN-Hydroxy-2-pyridinecarboxamide
SMILES COC(=O)C1=CC(=C(C=C1O)O)C(=O)OC

Description

Dimethyl 4,6-dihydroxyisophthalate features two hydroxyl groups flanking a methyl ester-substituted aromatic core, enabling selective derivatization in polymer synthesis and bioconjugation. The ortho-hydroxy arrangement enhances chelation potential while the bench-stable esters tolerate standard reaction conditions. This bifunctional scaffold integrates readily into functional materials requiring polar, reactive sites.

Application

Dimethyl 4,6-dihydroxyisophthalate serves as a versatile diol-containing aromatic building block for the synthesis of functionalized polyesters and heterocyclic scaffolds. Its two phenolic hydroxyl groups enable selective protection, derivatization, and metal coordination, while the ester functionalities support transesterification and amidation reactions. The molecule exhibits good bench stability and facilitates purification via recrystallization, making it well-suited for iterative synthetic sequences in materials chemistry and medicinal compound development.

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 93.06
LogP 0.671
H_Acceptors 6
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Dimethyl 4,6-dihydroxyisophthalate

CAS No. 52959-28-1

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