54013-04-6

Basic information

• Product Name: Pyrazinecarboxylic acid, 5-chloro-, ethyl ester
• Synonyms: Pyrazinecarboxylic acid, 5-chloro-, ethyl ester;ethyl 5-chloropyrazine-2-carboxylate;2-Carbethoxy-5-chloropyrazine;5-Chloro-2-pyrazinecarboxylic acid ethyl ester;Ethyl 5-chloro-2-pyrazinecarboxylate;ethyl 5-chloropyrazinoate
• CAS NO: 54013-04-6
• Molecular Formula: C₇H₇ClN₂O₂
• Molecular Weight: 187
• Mol File: 54013-04-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 258.8±35.0 °C(Predicted)
• Appearance: /Solid
• Density: 1.311±0.06 g/cm3(Predicted)
• PKA: -4.42±0.10(Predicted)
• CAS DataBase Reference: Pyrazinecarboxylic acid, 5-chloro-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Pyrazinecarboxylic acid, 5-chloro-, ethyl ester(54013-04-6)
• EPA Substance Registry System: Pyrazinecarboxylic acid, 5-chloro-, ethyl ester(54013-04-6)

Safety Data

• Hazardous Substances Data: 54013-04-6(Hazardous Substances Data)

Usage

General Description

Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is a chemical compound with the molecular formula C8H8ClNO2. It is a colorless to light yellow liquid that is commonly used in the production of various pharmaceuticals and agricultural chemicals. Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is also used as an intermediate in the synthesis of other organic compounds and can be found in some flavor and fragrance products. It is known to have a slightly sweet, nutty odor and is typically handled and stored with proper safety precautions due to its potential for irritation and toxicity.

Upstream product

• 64-17-5 ethanol 
• 88625-23-4 5-chloropyrazine-2-carbonyl chloride 
• 36070-80-1 5-chloropyrazinoic acid 

Downstream Products

• 848952-83-0 5-chloro-pyrazine-2-carboxylic acid hydrazide 
• 1215002-59-7 ethyl 3-(5-chloropyrazin-2-yl)-3-oxopropanoate 
• 141-97-9 ethyl acetoacetate 

Relevant articles and documents

Benzoxaborole Antimalarial Agents. Part 4. Discovery of Potent 6-(2-(Alkoxycarbonyl)pyrazinyl-5-oxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaboroles

A series of 6-hetaryloxy benzoxaborole compounds was designed and synthesized for a structure-activity relationship (SAR) investigation to assess the changes in antimalarial activity which result from 6-aryloxy structural variation, substituent modification on the pyrazine ring, and optimization of the side chain ester group. This SAR study discovered highly potent 6-(2-(alkoxycarbonyl)pyrazinyl-5-oxy)-1,3-dihydro-1-hydroxy-2,1-benzoxaboroles (9, 27-34) with IC50s = 0.2-22 nM against cultured Plasmodium falciparum W2 and 3D7 strains. Compound 9 also demonstrated excellent in vivo efficacy against P. berghei in infected mice (ED90 = 7.0 mg/kg).