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Ethyl 2-(trifluoromethyl)isonicotinate is a chemical compound derived from isonicotinic acid, featuring a trifluoromethyl group attached to the isonicotinate moiety. ethyl 2-(trifluoromethyl)isonicotinate is characterized by its trifluoromethyl group, which is known to enhance the potency and metabolic stability of drug molecules, and an ethyl ester group, which allows for versatile chemical manipulations. It is commonly utilized in organic synthesis and pharmaceutical research as a building block for the synthesis of various biologically active molecules, making it a valuable intermediate in the development of new pharmaceuticals with improved therapeutic properties.

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  • 1214351-44-6 Structure
  • Basic information

    1. Product Name: ethyl 2-(trifluoromethyl)isonicotinate
    2. Synonyms: ethyl 2-(trifluoromethyl)isonicotinate;2-trifluoromethylisonicotinic acid ethyl ester
    3. CAS NO:1214351-44-6
    4. Molecular Formula: C9H8F3NO2
    5. Molecular Weight: 219.1605296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1214351-44-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    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: ethyl 2-(trifluoromethyl)isonicotinate(CAS DataBase Reference)
    10. NIST Chemistry Reference: ethyl 2-(trifluoromethyl)isonicotinate(1214351-44-6)
    11. EPA Substance Registry System: ethyl 2-(trifluoromethyl)isonicotinate(1214351-44-6)
  • 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: 1214351-44-6(Hazardous Substances Data)

1214351-44-6 Usage

Uses

Used in Pharmaceutical Research and Development:
Ethyl 2-(trifluoromethyl)isonicotinate is used as a key intermediate in the synthesis of biologically active molecules for pharmaceutical applications. The presence of the trifluoromethyl group increases the potency and metabolic stability of the resulting drug molecules, contributing to their effectiveness in treating various diseases and conditions.
Used in Organic Synthesis:
In the field of organic synthesis, ethyl 2-(trifluoromethyl)isonicotinate serves as a versatile building block for the creation of a wide range of chemical compounds. The ethyl ester group in the compound facilitates various chemical reactions, making it an indispensable tool for chemists in the synthesis of complex organic molecules.
Used in Drug Discovery:
Ethyl 2-(trifluoromethyl)isonicotinate is employed as a starting material in drug discovery processes. Its unique structural features and the ability to undergo chemical modifications make it a promising candidate for the development of new pharmaceuticals with enhanced therapeutic properties and improved pharmacokinetics.
Used in Medicinal Chemistry:
In medicinal chemistry, ethyl 2-(trifluoromethyl)isonicotinate is utilized for the design and optimization of drug candidates. Its incorporation into molecular structures can lead to the discovery of novel compounds with potential therapeutic applications, particularly in the treatment of challenging diseases where existing treatments may be limited or ineffective.
Overall, ethyl 2-(trifluoromethyl)isonicotinate plays a crucial role in various industries, particularly in the pharmaceutical sector, where its unique properties and versatility contribute to the advancement of drug development and the discovery of innovative therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 1214351-44-6 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,1,4,3,5 and 1 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 1214351-44:
(9*1)+(8*2)+(7*1)+(6*4)+(5*3)+(4*5)+(3*1)+(2*4)+(1*4)=106
106 % 10 = 6
So 1214351-44-6 is a valid CAS Registry Number.

1214351-44-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name Ethyl 2-(trifluoromethyl)isonicotinate

1.2 Other means of identification

Product number -
Other names ethyl 2-(trifluoromethyl)pyridine-4-carboxylate

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:1214351-44-6 SDS

1214351-44-6Downstream Products

1214351-44-6Relevant articles and documents

Synthesis of Functionalized Pyridines via a Regioselective Oxazoline Promoted C-H Amidation Reaction

Maiden, Tracy M. M.,Swanson, Stephen,Procopiou, Panayiotis A.,Harrity, Joseph P. A.

supporting information, p. 3434 - 3437 (2016/07/26)

The first Rh-catalyzed C-H amidation of pyridines is reported. The incorporation of a substituent at the C2 position both is crucial to the success of this transformation and provides considerable scope for further elaboration of the resulting products. Among these compounds, 2-chloropyridines allow access to a selection of intermediates including a versatile azaquinazoline scaffold.

PROCESS FOR THE PREPARATION OF 2-TRIFLUOROMETHYL ISONICOTINIC ACID AND ESTERS

-

, (2014/06/11)

The invention relates to a novel process for the preparation of 2- trifluoromethyl isonicotinic acid and esters of the formula I which involves a palladium catalysed carbonylation or cyanation step wherein R1 is hydrogen or Q1-6-alkyl. The 2-trifluoromethyl isonicotinic acid and esters of the formula I are versatile intermediates for the preparation of active pharmaceutical and agrochemical agents such as for instance TAAR 1 agonists of the formula III.

Practical and innate carbon-hydrogen functionalization of heterocycles

Fujiwara, Yuta,Dixon, Janice A.,O'Hara, Fionn,Funder, Erik Daa,Dixon, Darryl D.,Rodriguez, Rodrigo A.,Baxter, Ryan D.,Herle, Bart,Sach, Neal,Collins, Michael R.,Ishihara, Yoshihiro,Baran, Phil S.

, p. 95 - 99 (2013/02/23)

Nitrogen-rich heterocyclic compounds have had a profound effect on human health because these chemical motifs are found in a large number of drugs used to combat a broad range of diseases and pathophysiological conditions. Advances in transition-metal-med

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