Isoxazole-4-carboxylic acid

Name: Isoxazole-4-carboxylic acid
Brand: ChemScene
Availability: InStock
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CAS No. 6436-62-0
Cat. No. CS-W004867
Purity≥95%
MDL No.MFCD06738806

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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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Structure of 6436-62-0

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General Information

CAS No. 6436-62-0
Cat. No. CS-W004867
Purity ≥95%
MDL No. MFCD06738806
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₃NO₃
Molecular Weight 113.07
Synonym(s) 4-Isoxazolecarboxylic acid
SMILES C1=C(C(=O)O)C=NO1

Description

Isoxazole-4-carboxylic acid features a rigid, electron-deficient heterocyclic core that enables direct integration into bioactive scaffolds. This bench-stable carboxylic acid derivative facilitates efficient coupling reactions and serves as a key building block in medicinal chemistry campaigns targeting kinase inhibitors and CNS-active compounds.

Application

Isoxazole-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through established coupling and functionalization protocols. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient synthesis of isoxazole-containing scaffolds. The carboxylic acid moiety supports direct derivatization via amide formation or esterification, enhancing structural diversity for drug discovery applications.

Synthesis

Route1
- In-stock
  
  80370-40-7
- ~97%
- In-stock
  
  6436-62-0
References
- Kusumi, Takenori; Chang, Conway C.; Wheeler, Margaret; Kubo, Isao; Nakanishi, Koji; Naoki, Hideo Tetrahedron Letters, 1981 , vol. 22, # 36 p. 3451 - 3454
Route2
- 6455-40-9
- ~%
- In-stock
  
  65373-53-7
- In-stock
  
  6436-62-0
References
- Gazzetta Chimica Italiana, , vol. 96, p. 443 - 453

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 0.3728
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Isoxazole compounds

Key Words

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Isoxazole-4-carboxylic acid

CAS No. 6436-62-0

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