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3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER is a chemical compound characterized by its molecular formula C10H11NO3. It is a methyl ester derivative of 3-oxo-3-pyridin-2-ylpropionic acid, featuring a pyridine ring with a propionic acid side chain and a ketone group. This molecule is highly valued in the pharmaceutical industry for its potential in drug discovery and development, as well as for its applications in medicinal chemistry and pharmaceutical research.

75418-74-5

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75418-74-5 Usage

Uses

Used in Pharmaceutical Industry:
3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER is used as a building block for the synthesis of various drugs and pharmaceutical intermediates. Its unique chemical structure and properties make it a versatile component in the development of new therapeutic agents.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER is utilized for its potential to contribute to the design and synthesis of novel compounds with therapeutic applications. Its pyridine ring and functional groups offer opportunities for structural modifications and optimization of drug candidates.
Used in Pharmaceutical Research:
3-OXO-3-PYRIDIN-2-YLPROPIONIC ACID METHYL ESTER is employed in pharmaceutical research to explore its potential as a precursor or intermediate in the synthesis of bioactive molecules. Its chemical properties and reactivity make it a valuable tool for researchers in the development of innovative pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 75418-74-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,5,4,1 and 8 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 75418-74:
(7*7)+(6*5)+(5*4)+(4*1)+(3*8)+(2*7)+(1*4)=145
145 % 10 = 5
So 75418-74-5 is a valid CAS Registry Number.

75418-74-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 3-oxo-3-pyridin-2-ylpropanoate

1.2 Other means of identification

Product number -
Other names methyl picolinoylacetate

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:75418-74-5 SDS

75418-74-5Relevant academic research and scientific papers

Compound with BRD4 inhibitory activity, preparation method and application thereof

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Paragraph 0352-0356, (2021/04/10)

The invention discloses a compound with BRD4 inhibitory activity, a preparation method and application thereof. The structure of the compound with the BRD4 inhibitory activity is shown as a formula I, and definitions of substituent groups are shown in the specification and claims. The compound provided by the invention has very high bromodomain protein inhibition activity, especially BRD4 targeted inhibition activity, and can be used for treating or/and preventing related diseases mediated by bromodomain protein.

Access to pyridines via cascade nucleophilic addition reaction of 1,2,3-triazines with activated ketones or acetonitriles

Zhang, Yuan,Luo, Han,Lu, Qixing,An, Qiaoyu,Li, You,Li, Shanshan,Tang, Zongyuan,Li, Baosheng

supporting information, p. 393 - 396 (2020/05/18)

We studied the cascade nucleophilic addition reactions of 1,2,3-triazines with activated acetonitriles or ketones, which were used to construct highly substituted pyridines that are not easily accessed by conventional methods. The strategy addressed some structural diversity issues currently facing medicinal chemistry, and the resulting pyridines could be used as convenient precursors for the synthesis of related pharmaceuticals. In particular, our method was applied to the syntheses of the marketed drug etoricoxib and several biologically important molecules in a few steps.

HETEROCYCLIC COMPOUND

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Paragraph 1405; 1406, (2016/06/28)

A compound represented by the formula (I): wherein each symbol is as described in the SPECIFICATION, or a salt thereof has a PDE2A inhibitory action, and is useful as a prophylactic or therapeutic drug for schizophrenia, Alzheimer's disease and the like.

Oxidative Coupling of Enamines and Disulfides via Tetrabutylammonium Iodide/tert-Butyl Hydroperoxide-Mediated Intermolecular Oxidative C(sp2) S Bond Formation Under Transition Metal-Free Conditions

Sun, Jiyun,Zhang-Negrerie, Daisy,Du, Yunfei

supporting information, p. 2035 - 2040 (2016/07/16)

The reaction of enamine compounds with disulfides in the presence of tert-butyl hydroperoxide and a catalytic amount of tetrabutylammonium iodide conveniently afforded a variety of α-thioenamine compounds through the intermolecular oxidative C(sp2) S coupling. Incorporating both of the sulfide moieties in the disulfides into the final products under oxidative conditions, this novel approach exhibits the feature of atom efficiency. A radical mechanistic pathway for the reaction process has been proposed. (Figure presented.) .

Rhodium Catalyzed Asymmetric Hydrogenation of 2-Pyridine Ketones

Yang, Hailong,Huo, Ningning,Yang, Ping,Pei, Hao,Lv, Hui,Zhang, Xumu

supporting information, p. 4144 - 4147 (2015/09/15)

Catalyzed by [Rh(COD)Binapine]BF4, the asymmetric hydrogenation of 2-pyridine ketones has been achieved with excellent enantioselectivities (enantiomeric excesses up to 99%) under mild conditions. This method is suitable for various kinds of 2-pyridine ketones and their derivatives. A number of enantiomerically pure chiral 2-pyridine-aryl/alkyl alcohols were prepared through hydrogenation, which can be used directly in organic synthesis.

Base initiated aromatization/CO bond formation: A new entry to O-pyrazole polyfluoroarylated ethers

Tang, Xiangyang,Chang, Jing,Liu, Cuibo,Zhang, Bin

supporting information, p. 6534 - 6537 (2015/01/08)

A base initiated intermolecular SNAr reaction of pyrazolones with polyfluoroarenes was developed. The process involved the isomerization aromatization of pyrazolone followed by the CO bond formation via the selective CF bond cleavage. With this strategy, a wide range of O-pyrazole polyfluoroarylated ethers bearing diverse functional groups were synthesized in mild to good yields. Additionally, our method was also applied to the isoxazol substrates.

Direct oxidative coupling of enamines and electron-deficient amines: TBAI/TBHP-mediated synthesis of substituted diaminoalkenes under metal-free conditions

Yuan, Yucheng,Hou, Wenjuan,Zhang-Negrerie, Daisy,Zhao, Kang,Du, Yunfei

supporting information, p. 5410 - 5413 (2015/01/09)

A metal-free cross-coupling of enamines and electron-de fi cient amines through oxidative C(sp2)-N bond formation has been realized by using TBAI as catalyst and TBHP as oxidant. This novel strategy allows for an efficient organocatalytic synthesis of the synthetically useful diaminoalkene derivatives and is highlighted by appealing features such as readily available of the starting materials, wide substrate scope and transition-metal-free characteristics. (Chemical Equation Presented).

Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series

Liu, Longbin,Norman, Mark H.,Lee, Matthew,Xi, Ning,Siegmund, Aaron,Boezio, Alessandro A.,Booker, Shon,Choquette, Debbie,D'Angelo, Noel D.,Germain, Julie,Yang, Kevin,Yang, Yajing,Zhang, Yihong,Bellon, Steven F.,Whittington, Douglas A.,Harmange, Jean-Christophe,Dominguez, Celia,Kim, Tae-Seong,Dussault, Isabelle

scheme or table, p. 1868 - 1897 (2012/05/04)

As part of our effort toward developing an effective therapeutic agent for c-Met-dependent tumors, a pyrazolone-based class II c-Met inhibitor, N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazole-4-c

HOTf mediated cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes

Chen, Gen-Qiang,Tang, Xiang-Ying,Shi, Min

supporting information; scheme or table, p. 2340 - 2342 (2012/04/18)

The cascade reactions of 1-arenoylcyclopropanecarboxylic acids with arenes proceed smoothly in freshly distilled HOTf to give the corresponding tetrahydro-5H-benzo[c]fluorene derivatives in good yields along with high stereoselectivities under mild conditions. The Royal Society of Chemistry.

Preparation and evaluation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors. 3-Hydroxyphenol analogues and bioisosteric replacements

Large, Jonathan M.,Torr, Jane E.,Raynaud, Florence I.,Clarke, Paul A.,Hayes, Angela,Stefano, Francesca Di,Urban, Frederique,Shuttleworth, Stephen J.,Saghir, Nahid,Sheldrake, Peter,Workman, Paul,McDonald, Edward

scheme or table, p. 836 - 851 (2011/03/19)

Two classes of trisubstituted pyrimidines related to PI-103 1 have been prepared and their inhibitory activities against phosphatidylinositol 3-kinase (PI3K) p110α were determined. From those with direct 6-aryl substitution compound 11a was the most potent inhibitor with an IC50 value of 62 nM, and showed similar activity against other class 1a PI3K isoforms tested, p110β and p110γ. When a linking chain was introduced, as in the second exemplified class, compound 15f inhibited p110α with IC 50 142 nM, and showed greater selectivity towards p110α. Compounds of both classes showed promising inhibition of cellular proliferation in IGROV-1 ovarian cancer cells. Among compounds designed to replace the 3-phenolic motif with structural isosteres, analogues incorporating a 4-indazolyl group possessed enzyme and cellular activities comparable to the parent phenols.

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