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(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester is a chemical compound characterized by the molecular formula C10H10BrNO2. It is a derivative of pyridine, featuring a bromine atom and an ethyl ester group. (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester is recognized for its potential as a building block in the synthesis of a variety of biologically active molecules, making it a valuable asset in both pharmaceutical research and organic synthesis.

51054-99-0

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51054-99-0 Usage

Uses

Used in Pharmaceutical Research:
(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester is utilized as a key intermediate in the development of new pharmaceuticals due to its capacity to be incorporated into the structures of potential drug candidates. Its unique structural features allow it to be a versatile component in the design of novel therapeutic agents.
Used in Organic Synthesis:
In the realm of organic synthesis, (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester serves as a valuable precursor for the creation of a range of organic compounds. Its reactivity and functional groups make it suitable for use in various synthetic pathways, contributing to the advancement of chemical research and the development of new materials.
Used in Drug Development:
(3-Bromo-pyridin-4-yl)-acetic acid ethyl ester is employed as a component in drug development processes, where its properties are harnessed to create molecules with potential pharmacological activity. Its presence in a compound may contribute to desired biological effects, making it an important part of the medicinal chemistry toolkit.
Used in Research and Industrial Applications:
Beyond its direct use in synthesis and drug development, (3-Bromo-pyridin-4-yl)-acetic acid ethyl ester may also find application in the synthesis of organic compounds for a variety of research and industrial purposes. Its versatility and the potential for modification make it a candidate for use in a wide array of chemical processes and innovations.

Check Digit Verification of cas no

The CAS Registry Mumber 51054-99-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,1,0,5 and 4 respectively; the second part has 2 digits, 9 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 51054-99:
(7*5)+(6*1)+(5*0)+(4*5)+(3*4)+(2*9)+(1*9)=100
100 % 10 = 0
So 51054-99-0 is a valid CAS Registry Number.

51054-99-0Relevant academic research and scientific papers

FLUOROALKYL-OXADIAZOLES AND USES THEREOF

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Paragraph 00263-00264, (2021/06/26)

Provided herein are compounds identified as inhibitors of HDAC6 activity that can be used to treat various diseases and disorders.

Borylation of Unactivated C(sp3)-H Bonds with Bromide as a Traceless Directing Group

Zhang, Ge,Li, Meng-Yao,Ye, Wen-Bo,He, Zhi-Tao,Feng, Chen-Guo,Lin, Guo-Qiang

supporting information, p. 2948 - 2953 (2021/05/05)

A palladium-catalyzed alkyl C-H borylation with bromide as a traceless directing group is described, providing a convenient approach to access alkyl boronates bearing a β-all-carbon quaternary stereocenter. The protocol features a broad substrate scope, excellent site selectivity, and good functional group tolerance.

INDOLE AHR INHIBITORS AND USES THEREOF

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Paragraph 00395, (2020/05/21)

The present invention provides compounds useful as inhibitors of AHR, compositions thereof, and methods of using the same.

Synthesis of Tetrahydronaphthyridines from Aldehydes and HARP Reagents via Radical Pictet-Spengler Reactions

Jackl, Moritz K.,Kreituss, Imants,Bode, Jeffrey W.

supporting information, p. 1713 - 1715 (2016/05/19)

The combination of aldehydes with newly designed HARP (halogen amine radical protocol) reagents gives access to α-substituted tetrahydronaphthyridines. By using different HARP reagents, various regioisomeric structures can be prepared in a single operation. These products, which are of high value in medicinal chemistry, are formed in a predictable manner via a formal Pictet-Spengler reaction of electron-poor pyridines that would not participate in the corresponding polar reactions.

One-pot synthesis of new aza- and diaza-aminophenanthrenes

Rochais, Christophe,Yougnia, Rodrigue,Cailly, Thomas,Sopková-De Oliveira Santos, Jana,Rault, Sylvain,Dallemagne, Patrick

scheme or table, p. 5806 - 5810 (2011/08/09)

The synthesis of a series of benzo(iso)quinoline and phenanthroline derivatives has been achieved using an efficient one-pot procedure. It proceeds through a Suzuki-Miyaura cross-coupling followed by a Dieckmann-Thorpe ring closure under microwave irradia

Synthesis of benzocyclobutenes by palladium-catalyzed C-H activation of methyl groups: Method and mechanistic study

Chaumontet, Manon,Piccardi, Riccardo,Audic, Nicolas,Hitce, Julien,Peglion, Jean-Louis,Clot, Eric,Baudoin, Olivier

supporting information; experimental part, p. 15157 - 15166 (2009/03/12)

An efficient catalytic system has been developed for the synthesis of benzocyclobutenes by C-H activation of methyl groups. The optimal conditions employed a combination of Pd(OAc)2 and PtBu3 as catalyst, K2CO3 as the base, and DMF as solvent. A variety of substituted BCB were obtained under these conditions with yields in the 44-92% range, including molecules that are hardly accessible by other methods. The reaction was found limited to substrates bearing a quaternary benzylic carbon, but benzocyclobutenes bearing a tertiary benzylic carbon could be obtained indirectly from diesters by decarboxylation. Reaction substrates bearing a small substituent para to bromine gave an unexpected regioisomer that likely arose from a 1,4-palladium migration process. The formation of this "abnormal" regioisomer could be suppressed by introducing a larger subsituent para to bromine. DFT(B3PW91) calculations on the reaction of 2-bromo-tert-butylbenzene with Pd(PtBu3) with different bases (acetate, bicarbonate, carbonate) showed the critical influence of the coordination mode of the base to induce both an easy C-H activation and to allow for a pathway for 1,4-palladium migration. Carbonate is shown to be more efficient than the two other bases because it can abstract the proton easily and at the same time maintain κ1-coordination without extensive electronic reorganization.

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