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Benzoic acid, 4-(2-pyridinyl)-, ethyl ester, also known as ethyl 4-(2-pyridinyl)benzoate, is an organic compound with the chemical formula C14H13NO2. It is a derivative of benzoic acid, where a 2-pyridinyl group replaces one of the hydrogen atoms on the benzene ring, and an ethyl ester group is attached to the carboxylic acid group. Benzoic acid, 4-(2-pyridinyl)-, ethyl ester is a white crystalline solid with a melting point of 56-58°C. It is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of insecticides and herbicides. The compound is also known for its potential applications in the field of materials science, such as in the development of new polymers and dyes. Due to its chemical structure, it exhibits unique properties that make it valuable in these areas of research and development.

4385-61-9

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4385-61-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4385-61-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,3,8 and 5 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 4385-61:
(6*4)+(5*3)+(4*8)+(3*5)+(2*6)+(1*1)=99
99 % 10 = 9
So 4385-61-9 is a valid CAS Registry Number.

4385-61-9SDS

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 ethyl 4-pyridin-2-ylbenzoate

1.2 Other means of identification

Product number -
Other names -

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 -
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More Details:4385-61-9 SDS

4385-61-9Relevant academic research and scientific papers

Photostable ester-substituted bis-cyclometalated cationic iridium(III) complexes for continuous monitoring of oxygen

Liu, Chun,Yu, Hongcui,Xing, Yang,Gao, Zhanming,Jin, Zilin

, p. 734 - 741 (2015)

Three bis-cyclometalated cationic Ir(iii) complexes Ir1, Ir2 and Ir3 with an ester substituent at the 4-position of the phenyl ring on the 2-phenylpyridine (ppy) have been synthesized and fully characterized. The emission maxima of ester-substituted Ir(ii

Unified Protocol for Fe-Based Catalyzed Biaryl Cross-Couplings between Various Aryl Electrophiles and Aryl Grignard Reagents

Wang, Lei,Wei, Yi-Ming,Zhao, Yan,Duan, Xin-Fang

, p. 5176 - 5186 (2019/05/10)

The combination of commonly used FeCl3/SIPr with Ti(OEt)4/PhOM enabled a highly general iron-based catalyst system, which could efficiently catalyze the biaryl coupling reaction between various electrophiles (I, Br, Cl, OTs, OCONMe2, OSO2NMe2) and common or functionalized aryl Grignard reagents with high functional group tolerance. Selective couplings of aryl iodides and bromides over the corresponding oxygen-based electrophiles have been achieved, and thus a terphenyl acid intermediate for anidulafungin was conveniently synthesized via an orthogonal coupling strategy.

Directed: Ortho C-H borylation catalyzed using Cp?Rh(iii)-NHC complexes

Thongpaen, Jompol,Schmid, Thibault E.,Toupet, Loic,Dorcet, Vincent,Mauduit, Marc,Baslé, Olivier

supporting information, p. 8202 - 8205 (2018/07/29)

Cp?Rh(NHC) complexes with bulky chiral bidentate NHC-carboxylate ligands were efficiently synthesized and fully characterized including solid-state structures. These unprecedented rhodium(iii) complexes demonstrated high selectivity in pyridine-directed ortho-C-H borylation of arenes under mild conditions.

Cobalt-Catalyzed Biaryl Couplings via C-F Bond Activation in the Absence of Phosphine or NHC Ligands

Wei, Juan,Liu, Kun-Ming,Duan, Xin-Fang

, p. 1291 - 1300 (2017/02/10)

A highly general and selective Co-catalyzed biaryl coupling through C-F cleavage under phosphine or NHC-free conditions was described. A broad range of aryl fluorides including unactivated fluorides as well as those with sensitive functionalities could couple with various Ti(OEt)4-mediated aryl Grignard reagents with high selectivity under the catalysis of CoCl2/DMPU. Importantly, selective C-F bond activation couplings between two types of fluorines (difluorinated aromatics and on two different coupling partners) and in the presence of C-Cl or C-Br bonds could also be achieved.

A Micellar Catalysis Strategy for Suzuki-Miyaura Cross-Couplings of 2-Pyridyl MIDA Boronates: No Copper, in Water, Very Mild Conditions

Isley, Nicholas A.,Wang, Ye,Gallou, Fabrice,Handa, Sachin,Aue, Donald H.,Lipshutz, Bruce H.

, p. 8331 - 8337 (2017/12/08)

Suzuki-Miyaura (SM) cross-couplings of 2-pyridyl MIDA boronates can be successfully carried out in the complete absence of copper by attenuation of the Lewis basicity associated with the pyridyl nitrogen using selected substituents (e.g., fluorine or chlorine) on the ring. This strategy imparts additional synthetic options compared with existing approaches based on the use of Lewis acids or N-oxides. Thus, access to highly valued 2-substituted pyridyl rings via an initial Suzuki-Miyaura coupling can be followed by dehalogenation, SNAr reactions, or a second SM coupling to arrive at 2,6-disubstituted pyridyl arrays, all run in a single pot, enabled by micellar catalysis in water. Accessing targets within drug-like space is demonstrated in a four-step, one-pot sequence. Computational data suggest that the major role being played by electron-withdrawing substituents in promoting these cross-couplings without the need for copper is to slow the rates of protodeboronation of intermediate 2-pyridylboronic acids.

α-Halo carbonyls enable: Meta selective primary, secondary and tertiary C-H alkylations by ruthenium catalysis

Paterson, Andrew J.,Heron, Callum J.,McMullin, Claire L.,Mahon, Mary F.,Press, Neil J.,Frost, Christopher G.

supporting information, p. 5993 - 6000 (2017/07/25)

A catalytic meta selective C-H alkylation of arenes is described using a wide range of α-halo carbonyls as coupling partners. Previously unreported primary alkylations with high meta selectivity have been enabled by this methodology whereas using straight chain alkyl halides affords ortho substituted products. Mechanistic analysis reveals an activation pathway whereby cyclometalation with a ruthenium(ii) complex activates the substrate molecule and is responsible for the meta selectivity observed. A distinct second activation of the coupling partner allows site selective reaction between both components.

Chemoselective Synthesis of Polysubstituted Pyridines from Heteroaryl Fluorosulfates

Zhang, Enxuan,Tang, Jiaze,Li, Suhua,Wu, Peng,Moses, John E.,Sharpless, K. Barry

supporting information, p. 5692 - 5697 (2016/04/20)

A selection of heteroaryl fluorosulfates were readily synthesized using commercial SO2F2 gas. These substrates are highly efficient coupling partners in the Suzuki reaction. Through judicious selection of Pd catalysts the fluorosulfate functionality is differentiated from bromide and chloride; the order of reactivity being: -Br> -OSO2F> -Cl. Exploiting this trend allowed the stepwise chemoselective synthesis of a number of polysubstituted pyridines, including the drug Etoricoxib. A selection of heteroaryl fluorosulfates were readily synthesized using commercial SO2F2 gas. These substrates are highly efficient coupling partners in the Suzuki reaction. Through judicious selection of Pd catalysts the fluorosulfate functionality is differentiated from bromide and chloride; the order of reactivity being: -Br> -OSO2F> -Cl. Exploiting this trend allowed the stepwise chemoselective synthesis of a number of polysubstituted pyridines, including the drug Etoricoxib.

Iron catalyzed oxidative assembly of N-heteroaryl and aryl metal reagents using oxygen as an oxidant

Liu, Kun Ming,Liao, Lian Yan,Duan, Xin Fang

supporting information, p. 1124 - 1127 (2015/01/09)

An equivalent amount of N-heteroaryl and aryl Grignard or lithium reagents, after mediation by an equivalent of titanate, was facilely coupled to furnish N-heteroaryl-aryl compounds under the catalysis of FeCl3/TMEDA at ambient temperature using oxygen as an oxidant. Most of the common N-heteroaryls were all good candidates, and thus provided a general, green and pratical protocol for the flexible construction of various N-heteroaryl-aryl structures. This journal is

Catalytic meta-selective C-H functionalization to construct quaternary carbon centres

Paterson, Andrew J.,St John-Campbell, Sahra,Mahon, Mary F.,Press, Neil J.,Frost, Christopher G.

supporting information, p. 12807 - 12810 (2015/08/06)

A catalytic meta-selective C-H functionalization of 2-phenylpyridines using a range of tertiary halides is described. The protocol is simple to perform and uses commercially available reagents to construct challenging quaternary carbon centres in a regioselective manner. Preliminary studies suggest the C-H functionalization proceeds through a radical process directed via a remote σ-activation.

Palladium-Catalyzed Cross-Coupling of Unactivated Aryl Sulfides with Arylzinc Reagents under Mild Conditions

Otsuka, Shinya,Fujino, Daishi,Murakami, Kei,Yorimitsu, Hideki,Osuka, Atsuhiro

supporting information, p. 13146 - 13149 (2016/02/19)

Cross-coupling of general aryl alkyl sulfides with arylzinc reagents proceeds smoothly, even at room temperature or below, with a palladium-N-heterocyclic carbene (NHC) catalyst. When combined with reactions that are unique to organosulfurs, that is, the SNAr sulfanylation or Pummerer reaction, the cross-coupling offers interesting transformations that are otherwise difficult to achieve. An alkylsulfanyl group is preferentially converted whilst leaving the tosyloxy and chloro intact, which expands the variety of orthogonal cross-coupling.

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