2',5'-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid

Name: 2',5'-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid
Brand: ChemScene
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CAS No. 115213-33-7
Cat. No. CS-0110744
Purity≥95%
MDL No.MFCD32666997

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2',5'-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid|CS-0110744

Structure of 115213-33-7

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General Information

CAS No. 115213-33-7
Cat. No. CS-0110744
Purity ≥95%
MDL No. MFCD32666997
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₂H₁₈O₄
Molecular Weight 346.38
Synonym(s) None
SMILES O=C(O)C=1C=CC(=CC1)C2=CC(=C(C=C2C)C3=CC=C(C=C3)C(=O)O)C

Description

This sterically hindered terphenyl dicarboxylic acid features two methyl groups at the 2' and 5' positions, enhancing solubility and stability. The carboxylic acid termini enable straightforward coupling reactions for constructing functionalized surfaces or coordination networks in materials chemistry applications.

Application

2',5'-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid serves as a versatile building block for conjugated π-systems and functionalized aromatic scaffolds. Its rigid terphenyl core with ortho-methyl substitution enhances planarity and steric control, while the dicarboxylic acid groups enable facile derivatization via esterification, amide coupling, or metal coordination. The compound exhibits excellent bench stability and compatibility with standard synthetic protocols, facilitating use in materials chemistry and macrocyclic ligand design.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 74.6
LogP 5.03384
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Material Science Solar Cell Materials Donor Intermediate DI

Material Science Organic-Inorganic Hybrid Materials Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Material Science Polymer/Macromolecule Reagents Metal Organic Frameworks (MOF) Raw Materials Organic Linker Molecules

Key Words

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2',5'-Dimethyl-[1,1':4',1''-terphenyl]-4,4''-dicarboxylic acid

CAS No. 115213-33-7

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