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

Description

Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is a chemical compound characterized by its molecular formula C8H8ClNO2. It is a colorless to light yellow liquid with a slightly sweet, nutty odor. Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is utilized in the synthesis of pharmaceuticals, agricultural chemicals, and other organic compounds, as well as in the production of flavor and fragrance products. Due to its potential for irritation and toxicity, it requires careful handling and storage with appropriate safety measures.

Uses

Used in Pharmaceutical Industry:
Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with specific therapeutic properties.
Used in Agricultural Chemicals Industry:
In the agricultural sector, Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is employed as a component in the production of agricultural chemicals, potentially enhancing crop protection and yield.
Used in Flavor and Fragrance Industry:
Pyrazinecarboxylic acid, 5-chloro-, ethyl ester is also utilized in the creation of flavor and fragrance products, capitalizing on its slightly sweet, nutty odor to contribute to the sensory profiles of various consumer goods.
Used in Organic Synthesis:
Pyrazinecarboxylic acid, 5-chloro-, ethyl ester serves as a versatile intermediate in organic synthesis, enabling the production of a range of organic compounds for diverse applications across different industries.

Upstream product

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

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).