Ethyl 1,2,4-oxadiazole-3-carboxylate

Name: Ethyl 1,2,4-oxadiazole-3-carboxylate
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 39512-59-9
Cat. No. CS-0062446
Molecule weight142.11
Purity≥96%
MDL No.None

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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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Ethyl 1,2,4-oxadiazole-3-carboxylate|CS-0062446

Structure of 39512-59-9

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General Information

CAS No. 39512-59-9
Cat. No. CS-0062446
Purity ≥96%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₆N₂O₃
Molecular Weight 142.11
Synonym(s) None
SMILES O=C(C1=NOC=N1)OCC

Description

Ethyl 1,2,4-oxadiazole-3-carboxylate is a bench-stable heterocyclic ester featuring a rigid, electron-deficient 1,2,4-oxadiazole core. This structure enables efficient coupling in synthetic sequences, particularly as a building block for bioactive molecules and pharmaceutical intermediates. Its stability under standard conditions facilitates reliable handling in process development workflows.

Application

Ethyl 1,2,4-oxadiazole-3-carboxylate serves as a versatile building block in heterocyclic synthesis, enabling efficient access to bioactive 1,2,4-oxadiazole scaffolds. Its ester functionality facilitates downstream transformations, including hydrolysis and amidation, while the oxadiazole ring exhibits excellent bench stability and compatibility with diverse functional groups. This compound functions as a key intermediate in medicinal chemistry campaigns targeting kinase inhibitors and antimicrobial agents.

Synthesis

Route1
- In-stock
  
  10489-74-4
- 122-51-0
- ~80%
- In-stock
  
  39512-59-9
References
- LABORATORIOS ALMIRALL, S.A. Patent: WO2008/107125 A1, 2008 ; Location in patent: Page/Page column 56-57 ; WO 2008/107125 A1
Route2
- In-stock
  
  1217428-98-2
- 122-51-0
- ~%
- In-stock
  
  39512-59-9
References
- Gregory,G.I. et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1973 , p. 47 - 51

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-P302+P352-P304+P340

Quality Control

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Computational Chemistry Data

TPSA 65.22
LogP 0.2463
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Key Words

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Ethyl 1,2,4-oxadiazole-3-carboxylate

CAS No. 39512-59-9

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