139308-53-5

Basic information

• Product Name: ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate
• Synonyms: ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate;1-(1,1-Dimethylethyl)-1H-pyrazole-4-carboxylic acid ethyl ester;1H-Pyrazole-4-carboxylic acid, 1-(1,1-dimethylethyl)-, ethyl ester
• CAS NO: 139308-53-5
• Molecular Formula: C10H16N2O2
• Molecular Weight: 196.24624
• Mol File: 139308-53-5.mol

Chemical Properties

• Boiling Point: 273.558 °C at 760 mmHg
• Flash Point: 119.244 °C
• Appearance: /
• Density: 1.054 g/cm³
• CAS DataBase Reference: ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate(139308-53-5)
• EPA Substance Registry System: ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate(139308-53-5)

Safety Data

• Hazardous Substances Data: 139308-53-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the creation of biologically active molecules. Its structural features allow for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate serves as an essential component in the formulation of agricultural products. Its role in the synthesis process aids in the production of effective compounds for crop protection and enhancement of agricultural yields.
Used in Organic Synthesis:
Ethyl 1-tert-butyl-1H-pyrazole-4-carboxylate is utilized as a versatile intermediate in organic synthesis, where its unique structure and properties enable the construction of a wide range of chemical compounds for various applications across different industries.

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Relevant articles and documents

Decarboxylative N-Alkylation of Azoles through Visible-Light-Mediated Organophotoredox Catalysis

An organophotoredox-catalyzed decarboxylative cross-coupling between azole nucleophiles and aliphatic carboxylic acid-derived redox-active esters is demonstrated. This protocol efficiently installs various tertiary or secondary alkyl fragments onto the nitrogen atom of azole nucleophiles under mild and transition-metal-free conditions. The pyridinium additive successfully inhibits the formation of elimination byproducts from the carbocation intermediate. This reaction is applicable to the synthesis of a protein-degrader-like molecule containing an azole and a thalidomide.

Electrochemical Decarboxylative N-Alkylation of Heterocycles

An operationally simple method to employ nonactivated carboxylic acids as alkylating agents in the N-alkylation of heterocycles is reported through an electrochemically driven anodic decarboxylative process. A wide substrate scope across a range of heterocycles is demonstrated along with a series of applications that significantly reduce the step count required to access such medicinally relevant structures.