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2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is a chemical compound with the molecular formula C8H6BrF3NO2S. It is an ester derivative of a thiazole carboxylic acid, containing a bromine atom and a trifluoromethyl group. 2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is known for its high reactivity due to the presence of these functional groups, making it a valuable building block in various chemical syntheses.

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72850-79-4 Usage

Uses

Used in Pharmaceutical Industry:
2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is used as a key intermediate in the synthesis of pharmaceuticals for its potential to contribute to the development of bioactive molecules. Its unique structural features allow for the creation of diverse therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER serves as a crucial building block in the production of agrochemicals, aiding in the development of effective pesticides and other agricultural chemicals.
Used in Materials Science:
2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is utilized as a component in the field of materials science, where its properties can be employed to engineer novel materials with specific characteristics, such as improved stability or reactivity.
Used as a Reagent in Organic Synthesis:
2-BROMO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER is also used as an important reagent in organic synthesis, facilitating a wide range of chemical reactions due to its reactive bromine and trifluoromethyl groups, which can be further functionalized to access various thiazole derivatives.

Check Digit Verification of cas no

The CAS Registry Mumber 72850-79-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,8,5 and 0 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 72850-79:
(7*7)+(6*2)+(5*8)+(4*5)+(3*0)+(2*7)+(1*9)=144
144 % 10 = 4
So 72850-79-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H5BrF3NO2S/c1-2-14-5(13)3-4(7(9,10)11)12-6(8)15-3/h2H2,1H3

72850-79-4Relevant academic research and scientific papers

Synthesis and Fungicidal Activity of Novel 2-Heteroatomthiazole-based Carboxanilides

Liu, Aiping,Wang, Xiaoguang,Liu, Xingping,Li, Jianming,Chen, Haobin,Hu, Li,Yu, Wanqi,He, Lian,Liu, Weidong,Huang, Mingzhi

, p. 1625 - 1629 (2017/03/27)

A new series of 2-heteroatomthiazole-based carboxanilides (8) are prepared by reacting 2-heteroatomthiazole-based carboxylic acid chlorides with 2,6-dibromo-4-(trifluoromethoxy)aniline. The structures of all the newly synthesized compounds were supported by spectroscopic data NMR, MS, and elemental analysis, etc. Bioassay showed that the compounds exhibited potent fungicidal activities against Rhizoctonia solani, etc. Particularly, N-(2,6-dibromo-4-(trifluoromethoxy)phenyl)-2-methoxy-4-(trifluoromethyl)thiazole-5-carboxamide (8a-2) showed fungicidal potency which was comparable to that of Thifluzamide, the only commercialized thiazole carboxanilide fungicides of succinate dehydrogenase inhibitor (SDHI).

Synthesis and Insecticidal Activity of Novel Thiazole Acrylonitrile Derivatives

Cao, Shengwen,Liu, Aiping,Liu, Weidong,Liu, Xingping,Ren, Yeguo,Pei, Hui,Huang, Lu,Zheng, Xi,Huang, Mingzhi,Wu, Daoxin

, p. 3395 - 3402 (2017/11/21)

A series of novel thiazole acrylonitrile derivatives was designed and synthesized utilizing NC-510 as a precursor. Their structures were characterized by NMR spectrometry, MS, and elemental analysis. The results of bioassay indicated that some of these ti

Synthesis of 2-(Benzylthio)-4-(trifluoromethyl)thiazole-5-carboxylates Using S -Benzylisothiouronium Halides as Thiol Equivalents

Hickey, Shane M.,White, Jonathan M.,Pfeffer, Frederick M.,Ashton, Trent D.

supporting information, p. 1759 - 1763 (2015/07/20)

S-Benzylisothiouronium halides are used as shelf-stable, odorless thiol equivalents. The method developed is used to access 2-(benzylthio)-4-(trifluoromethyl)thiazole carboxyl building blocks. Using the latent trifluoromethyl substituent the reactions could be monitored using 19F NMR spectroscopy.

SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS

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Page/Page column 52, (2014/10/29)

The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

AMIDE COMPOUND

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Page/Page column 54, (2012/11/13)

A compound represented by the formula (I) wherein ring Cy1 is a 5-membered aromatic heterocycle optionally further substituted besides a group represented by -A-B, ring Cy2 is an optionally substituted benzene ring, ring Cy3 is an optionally substituted 5-membered aromatic heterocycle, ring Cy4 is an optionally substituted 6-membered aromatic ring, A is -CONRa- or -NRaCO-, Ra is a hydrogen atom or a substituent, B is a hydrogen atom or an optionally substituted C1-6 alkyl-group, X is an optionally substituted C1-2 alkylene, -Y-, -Y-CH2- or - CH2-Y-, Y is an oxygen atom, -NRb- or -S(O)m-, Rb is a hydrogen atom or a substituent, and m is 0, 1 or 2, provided that N-methyl-4-[2-[3,4,5-trimethoxyphenyl)amino]-1,3-benzoxazol-7-yl]thiophene-2-carboxamide is excluded, or a salt thereof, has an agonistic action on GPR52, and is useful as an agent for the prophylaxis or treatment of schizophrenia and the like.

5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS

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Page/Page column 97, (2009/03/07)

5-Membered heterocyclic amides and related compounds are provided, of the Formula: wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly usef

Synthesis of 2-aminoethyl-5-carbethoxythiazoles utilizing a Michael-like addition strategy

Boy, Kenneth M.,Guernon, Jason M.

, p. 2251 - 2252 (2007/10/03)

Ethyl 4-(trifluoromethyl)-2-vinylthiazole-5-carboxylate was utilized as a precursor to ethyl 4-(trifluoromethyl)-2-(aminoethyl)thiazole-5-carboxylate analogs via Michael-like addition of various secondary amines. Reactions employed 1.2 equiv of amine, and the products were isolated by solvent removal and acid/base extraction. Use of primary amines was also investigated.

Aminoalkyl thiazole derivatives as KCNQ modulators

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Page/Page column 15, (2008/06/13)

Novel aminoalkylthiazole derivatives of Formula I are described which are openers of KCNQ potassium channels and are useful in the treatment of disorders responsive to the opening of the KCNQ potassium channels, including pain and migraine.

2-aryl thiazole derivatives as KCNQ modulators

-

Page 32, (2010/02/07)

Novel 2-arylthiazole derivatives of Formula I are described which are openers of KCNQ potassium channels and are useful in the treatment of disorders that are responsive to the opening of the KCNQ potassium channels, including pain and migraine.

Syntheses and Reactions of 2-Halo-5-thiazolecarboxylates

Lee, Len F.,Schleppnik, Francis M.,Howe, Robert K.

, p. 1621 - 1630 (2007/10/02)

A variety of 2-halo-5-thiazolecarboxylates was prepared from substituted-3-aminoacrylates and 3-ketoesters.Selective reduction of 2-chloro-5-thiazolecarboxylates 4a, 4i and 4j with sodium borohydride in ethanol provided the corresponding 2-halo-5-thiazolemethanols 27 - 29.Nucleophilic displacement on methyl methanesulfonate (32c) occured selectivity at the 5-substituent to provide 2-chloro-4-(trifluoromethyl)-5-(heteroatom-substituted methyl)thiazoles 32d-f.

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