172527-71-8

Basic information

• Product Name: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate
• Synonyms: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate;Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propane-1,3-dioate, 3-Chloro-2-(1,3-diethoxy-1,3-dioxoprop-2-yl)-5-(trifluoromethyl)pyridine;Diethyl2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate97%
• CAS NO: 172527-71-8
• Molecular Formula: C₁₃H₁₃ClF₃NO₄
• Molecular Weight: 339.6948296
• Mol File: 172527-71-8.mol

Chemical Properties

• Melting Point: 43-45
• Boiling Point: 120-124/0.5mm
• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(172527-71-8)
• EPA Substance Registry System: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(172527-71-8)

Safety Data

• Hazardous Substances Data: 172527-71-8(Hazardous Substances Data)

Usage

Uses

Used in Medicinal Chemistry and Pharmaceutical Research:
Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate is utilized as a building block for the synthesis of various biologically active molecules. Its structural features enable it to serve as a key component in the development of new drugs, contributing to the discovery and advancement of pharmaceutical compounds with potential therapeutic applications.
Used in Drug Discovery and Development:
In the field of drug discovery and development, Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate is employed for its potential to exhibit pharmacological properties. Its unique structure allows it to be a valuable asset in the creation of novel therapeutic agents, potentially leading to the development of new treatments for various diseases and conditions.
Used in Organic Chemistry Research:
Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate is also used in the study of chemical reactions and mechanisms within organic chemistry. Its distinctive properties make it a useful tool for understanding and exploring various chemical processes, furthering the knowledge and capabilities within the field of organic chemistry.

Upstream product

• 69045-84-7 2,3-dichloro-5-trifluoromethylpyridine 
• 105-53-3 diethyl malonate 

Downstream Products

• 658066-35-4 fluopyram 
• 895525-74-3 C₂₂H₁₉ClF₆N₂O₅ 
• 658066-44-5 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-ethanamine 

Relevant articles and documents

Method for synthesizing fluopyram

The method comprises the following steps: 2, 3 -dichloro-trifluorotoluene is subjected to fluorination, cyano substitution, hydrolysis, hydroxymethylation, and esterification to obtain the intermediate 5. Another 2, 3 - dichloro -5 -trifluoromethylpyridine is reacted with malonic acid diester to give intermediate 6. After the intermediate 5 is condensed with the intermediate 6, hydrolysis, decarboxylation, and final hydrogenation dechlorination are performed to obtain fluopyram. The method has the characteristics of simple operation, cheap and accessible raw materials, no participation of isomers 1 isomers in subsequent reaction and easy removal. Non-flammable and explosive, highly toxic or non-volatile agents commonly used in the existing synthetic method are not used in each reaction step, and harm to operating personnel and in the environment is avoided. , The yield of the product reaches above 50%, and the purity is 98% or more.

Convenient routes to trifluoromethyl-substituted pyridyl-isothiocyanates and isocyanates starting from 2,3-dichloro-5-trifluoromethyl pyridine

A convenient preparative route for the synthesis of 3-chloro-2- (isothiocyanatoethyl)-5-(trifluoromethyl)pyridine (1) and 3-chloro-2- (isocyanatoethyl)-5-(trifluoromethyl)pyridine (2) has been developed, involving 5 steps starting from 2, 3-dichloro-5-(trifluoromethyl)pyridine (3). All intermediates and final products were obtained in good yields and purity. The structure of one intermediate, 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl) malonate, was confirmed by X-ray crystallography.

Process for the Preparation of a 2-Pyridylethylcarboxamide Derivative

Process for the preparation of a N-[2-(2-pyridinyl)ethyl]carbox-amide derivative of general formula (I) or a salt thereof 5 Intermediate of general formula (II) Intermediate of general formula (III).