2-(4-Cyanophenyl)-2-methylpropanoic acid

Name: 2-(4-Cyanophenyl)-2-methylpropanoic acid
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CAS No. 1000804-51-2
Cat. No. CS-0503811
Molecule weightNone
Purity≥98%
MDL No.MFCD19695824

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2-(4-Cyanophenyl)-2-methylpropanoic acid|CS-0503811

Structure of 1000804-51-2

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General Information

CAS No. 1000804-51-2
Cat. No. CS-0503811
Purity ≥98%
MDL No. MFCD19695824
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁NO₂
Molecular Weight None
Synonym(s) None
SMILES CC(C)(C1=CC=C(C#N)C=C1)C(O)=O

Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura coupling reactions, delivering robust yields under standard conditions. The para-cyanophenyl group enhances electron-withdrawing character, while the methylpropanoic acid side chain provides steric bulk and solubility in common organic solvents.

Application

2-(4-Cyanophenyl)-2-methylpropanoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active heterocycles and pharmaceutical scaffolds. Its benzonitrile functionality facilitates coupling reactions and cyclization processes, while the sterically hindered α-methylpropanoic acid moiety offers enhanced metabolic stability. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthesis campaigns in drug discovery.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 61.09
LogP 1.92048
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-Cyanophenyl)-2-methylpropanoic acid

CAS No. 1000804-51-2

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