5-(2-Chlorophenyl)isoxazole-3-carboxylic acid

Name: 5-(2-Chlorophenyl)isoxazole-3-carboxylic acid
Brand: ChemScene
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CAS No. 334017-34-4
Cat. No. CS-0085285
Purity≥97%
MDL No.MFCD06005852

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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5-(2-Chlorophenyl)isoxazole-3-carboxylic acid|CS-0085285

Structure of 334017-34-4

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General Information

CAS No. 334017-34-4
Cat. No. CS-0085285
Purity ≥97%
MDL No. MFCD06005852
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆ClNO₃
Molecular Weight 223.61
Synonym(s) 5-(2-CHLORO-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
SMILES O=C(C1=NOC(C2=CC=CC=C2Cl)=C1)O

Description

5-(2-Chlorophenyl)isoxazole-3-carboxylic acid features a chlorinated aryl group linked to an electron-deficient isoxazole core, enabling robust integration into bioactive scaffolds. The carboxylic acid moiety offers direct handle for amidation or esterification, streamlining conjugation in medicinal chemistry campaigns. This compound exhibits enhanced metabolic stability and favorable solubility under standard conditions.

Application

5-(2-Chlorophenyl)isoxazole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard functional group transformations. Its ortho-chlorophenyl moiety enhances metabolic stability and provides a handle for further derivatization via cross-coupling reactions. The carboxylic acid functionality facilitates amide formation, esterification, and salt formation, supporting purification and formulation. Bench-stable and readily available, it functions effectively in multistep syntheses targeting pharmacologically relevant scaffolds.

Safety Information

Download SDS

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

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Computational Chemistry Data

TPSA 63.33
LogP 2.6932
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-(2-Chlorophenyl)isoxazole-3-carboxylic acid

CAS No. 334017-34-4

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