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Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate is a chemical compound characterized by the molecular formula C13H12ClF3NO4. It is a derivative of malonic acid, featuring a pyridine ring with a chloro and trifluoromethyl group attached to it. Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate is recognized for its unique structural features, which contribute to its potential pharmacological properties and applications in medicinal chemistry and pharmaceutical research.

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  • 172527-71-8 Structure
  • Basic information

    1. Product Name: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate
    2. 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%
    3. CAS NO:172527-71-8
    4. Molecular Formula: C13H13ClF3NO4
    5. Molecular Weight: 339.6948296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 172527-71-8.mol
  • Chemical Properties

    1. Melting Point: 43-45
    2. Boiling Point: 120-124/0.5mm
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(172527-71-8)
    11. EPA Substance Registry System: Diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]malonate(172527-71-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 172527-71-8(Hazardous Substances Data)

172527-71-8 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.

Check Digit Verification of cas no

The CAS Registry Mumber 172527-71-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,5,2 and 7 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 172527-71:
(8*1)+(7*7)+(6*2)+(5*5)+(4*2)+(3*7)+(2*7)+(1*1)=138
138 % 10 = 8
So 172527-71-8 is a valid CAS Registry Number.

172527-71-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate

1.2 Other means of identification

Product number -
Other names 3-chloro-5-trifluoromethyl-2-pyridylmalonic acid diethyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:172527-71-8 SDS

172527-71-8Relevant articles and documents

Method for synthesizing fluopyram

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Paragraph 0040; 0056-0058; 0072; 0088-0090, (2021/11/10)

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

Fodor, Elena,Maftei, Catalin-Vasile,Mangalagiu, Ionel,Jones, Peter G.,Daniliuc, Constantin-Gabriel,Franz, M. Heiko,Neda, Ion

experimental part, p. 559 - 564 (2011/08/22)

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

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Page/Page column 12, (2008/06/13)

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).

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