Methyl (R)-4-(1-hydroxyethyl)benzoate

Name: Methyl (R)-4-(1-hydroxyethyl)benzoate
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CAS No. 129446-47-5
Cat. No. CS-0508719
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Methyl (R)-4-(1-hydroxyethyl)benzoate|CS-0508719

Structure of 129446-47-5

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General Information

CAS No. 129446-47-5
Cat. No. CS-0508719
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂O₃
Molecular Weight 180.20
Synonym(s) methyl 4-[(1R)-1-hydroxyethyl]benzoate
SMILES O=C(OC)C1=CC=C([C@H](O)C)C=C1

Description

Methyl (R)-4-(1-hydroxyethyl)benzoate features a chiral benzylic alcohol center, enabling stereoselective transformations in asymmetric synthesis. The ester functionality offers compatibility with common coupling and reduction protocols. This bench-stable compound integrates readily into complex molecular architectures requiring defined stereochemistry and hydroxyl group reactivity.

Application

Methyl (R)-4-(1-hydroxyethyl)benzoate serves as a chiral building block for the synthesis of bioactive molecules and pharmaceutical intermediates. Its benzoate core enables facile functionalization via ester manipulation, while the stereogenic tertiary alcohol facilitates downstream transformations such as oxidation or substitution. The compound exhibits good bench stability and compatibility with standard purification techniques, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 46.53
LogP 1.5265
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl (R)-4-(1-hydroxyethyl)benzoate

CAS No. 129446-47-5

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