2-(4-(2-Hydroxyethyl)phenyl)-2-methylpropanoic acid

Name: 2-(4-(2-Hydroxyethyl)phenyl)-2-methylpropanoic acid
Brand: ChemScene
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CAS No. 552301-45-8
Cat. No. CS-0159396
Purity≥98%
MDL No.MFCD13152211

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-(4-(2-Hydroxyethyl)phenyl)-2-methylpropanoic acid|CS-0159396

Structure of 552301-45-8

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General Information

CAS No. 552301-45-8
Cat. No. CS-0159396
Purity ≥98%
MDL No. MFCD13152211
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₆O₃
Molecular Weight None
Synonym(s) METHYL 2-(4-(2-HYDROXYETHYL)PHENYL)-3-METHYLPROPANOATE
SMILES O=C(C(C)(C)C1=CC=C(CCO)C=C1)O

Description

This sterically hindered carboxylic acid features a hydroxyethyl-substituted phenyl ring, enabling direct conjugation or derivatization in synthetic workflows. The pendant hydroxyl group facilitates hydrogen bonding and enhances solubility in polar media, while the methylpropanoate backbone ensures stability under standard bench conditions.

Application

2-(4-(2-Hydroxyethyl)phenyl)-2-methylpropanoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive scaffolds through its orthogonal functional groups. The carboxylic acid facilitates amide coupling, while the pendant hydroxyl group supports derivatization via esterification or ether formation. Its benzylic methyl substitution enhances metabolic stability, and the overall structure exhibits favorable bench stability and ease of purification in standard synthetic workflows.

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 57.53
LogP 1.5836
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(4-(2-Hydroxyethyl)phenyl)-2-methylpropanoic acid

CAS No. 552301-45-8

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