(S)-4-(1-Aminoethyl)benzoic acid

Name: (S)-4-(1-Aminoethyl)benzoic acid
Brand: ChemScene
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CAS No. 222714-33-2
Cat. No. CS-D0241
Purity≥96%
MDL No.MFCD06761799

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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(S)-4-(1-Aminoethyl)benzoic acid|CS-D0241

Structure of 222714-33-2

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General Information

CAS No. 222714-33-2
Cat. No. CS-D0241
Purity ≥96%
MDL No. MFCD06761799
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₁NO₂
Molecular Weight 165.19
Synonym(s) Benzoic acid,4-[(1S)-1-aminoethyl]
SMILES O=C(O)C1=CC=C([C@H](C)N)C=C1

Description

(S)-4-(1-Aminoethyl)benzoic acid features a chiral α-amino acid scaffold with a para-substituted benzoic acid moiety, enabling integration into peptide-based pharmaceuticals and chemical probes. The stereogenic center ensures precise spatial orientation for targeted biological interactions, while the carboxylic acid group facilitates conjugation and salt formation. This bench-stable derivative supports synthetic applications requiring defined stereochemistry and functional handle availability.

Application

(S)-4-(1-Aminoethyl)benzoic acid serves as a chiral building block for bioactive molecules, enabling the synthesis of pharmaceutically relevant arylalanine derivatives. Its well-defined stereochemistry and orthogonal functional groups facilitate straightforward derivatization via amidation, esterification, or coupling reactions. The compound exhibits good bench stability and is readily purified by crystallization, making it suitable for scalable synthesis in medicinal chemistry and process development 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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 63.32
LogP 1.4045
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(S)-4-(1-Aminoethyl)benzoic acid

CAS No. 222714-33-2

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