Dimethyl 5-formylisophthalate

Name: Dimethyl 5-formylisophthalate
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CAS No. 164073-80-7
Cat. No. CS-0169863
Purity≥96%
MDL No.MFCD16987722

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Dimethyl 5-formylisophthalate|CS-0169863

Structure of 164073-80-7

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General Information

CAS No. 164073-80-7
Cat. No. CS-0169863
Purity ≥96%
MDL No. MFCD16987722
Storage RT, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₀O₅
Molecular Weight None
Synonym(s) 1,3-Benzenedicarboxylic acid, 5-formyl-, 1,3-dimethyl ester
SMILES O=C(OC)C1=CC(C=O)=CC(C(OC)=O)=C1

Description

Dimethyl 5-formylisophthalate features a formyl group at the para position relative to one ester, enabling selective conjugation in synthetic routes. The molecule integrates readily into polymeric and heterocyclic frameworks, offering a stable, moisture-tolerant platform for modular synthesis under standard conditions.

Application

Dimethyl 5-formylisophthalate serves as a versatile diester building block featuring orthogonal functional groups: two ester moieties and a readily convertible aldehyde. It enables efficient access to substituted aromatic scaffolds through standard transformations such as nucleophilic addition, oxidation, and coupling reactions. The formyl group facilitates further derivatization in multistep syntheses, while the dimethyl ester functionality supports selective hydrolysis or reduction, making it valuable for constructing complex heterocycles and pharmaceutical intermediates with predictable reactivity.

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
Precautionary Statements : P261-P280-P304+P340

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Computational Chemistry Data

TPSA 69.67
LogP 1.0723
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 3

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Dimethyl 5-formylisophthalate

CAS No. 164073-80-7

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