Dimethyl 4,4'-oxalyldibenzoate

Name: Dimethyl 4,4'-oxalyldibenzoate
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CAS No. 66553-02-4
Cat. No. CS-0197361
Purity≥98%
MDL No.None

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Dimethyl 4,4'-oxalyldibenzoate|CS-0197361

Structure of 66553-02-4

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General Information

CAS No. 66553-02-4
Cat. No. CS-0197361
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₄O₆
Molecular Weight 326.30
Synonym(s) Dimethyl 4,4’-Oxalyldibenzoate b
SMILES O=C(C1=CC=C(C=C1)C(OC)=O)C(C2=CC=C(C=C2)C(OC)=O)=O

Description

Dimethyl 4,4'-oxalyldibenzoate features a rigid, planar architecture with two ester-functionalized benzene rings linked by a central oxalate spacer. This structural motif imparts high thermal stability and facilitates efficient π–π stacking in supramolecular assemblies. The molecule serves as a robust building block for conjugated polymers and molecular scaffolds requiring precise spatial control and electron-withdrawing character.

Application

Dimethyl 4,4'-oxalyldibenzoate serves as a versatile bis-electrophilic building block in synthetic organic chemistry, enabling efficient construction of rigid, planar biaryl scaffolds via palladium-catalyzed cross-coupling reactions. Its orthogonal functionality allows selective derivatization under standard conditions, while the ester groups provide excellent bench stability and ease of purification. This compound functions as a key intermediate in the synthesis of conjugated polymers and functionalized aromatic architectures relevant to materials science and medicinal chemistry applications.

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-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 86.74
LogP 2.3254
H_Acceptors 6
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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Dimethyl 4,4'-oxalyldibenzoate

CAS No. 66553-02-4

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