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(E)-ethyl 3-(3-bromophenyl)acrylate is an organic compound that is widely utilized in the pharmaceutical and chemical industries. It is characterized by its clear, colorless liquid appearance and a sweet, fruity odor. This versatile compound is valued for its ability to participate in a range of chemical reactions, making it a crucial component in organic synthesis.

59114-88-4

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59114-88-4 Usage

Uses

Used in Pharmaceutical Industry:
(E)-ethyl 3-(3-bromophenyl)acrylate is used as an intermediate for the synthesis of various pharmaceutical products. Its chemical reactivity allows for the creation of diverse medicinal compounds, contributing to the development of new drugs and therapies.
Used in Agrochemical Industry:
In the agrochemical sector, (E)-ethyl 3-(3-bromophenyl)acrylate serves as an intermediate in the production of different agrochemical products. Its involvement in the synthesis process aids in the development of effective solutions for agricultural applications.
Used in Polymer Production:
(E)-ethyl 3-(3-bromophenyl)acrylate is also utilized in the manufacturing of polymers. Its chemical properties make it a suitable candidate for the production of specific types of polymers, which can be used in a variety of applications, including the creation of plastics and other materials.
Used in Chemical Synthesis:
Due to its ability to undergo various chemical reactions, (E)-ethyl 3-(3-bromophenyl)acrylate is a valuable compound in organic synthesis. It can be used to create a range of other chemicals, further expanding its utility in the chemical industry.
Safety Precautions:
It is important to handle (E)-ethyl 3-(3-bromophenyl)acrylate with care, as it can be hazardous if not used and stored properly. Proper safety measures should be taken to minimize risks associated with its use.

Check Digit Verification of cas no

The CAS Registry Mumber 59114-88-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,1,1 and 4 respectively; the second part has 2 digits, 8 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 59114-88:
(7*5)+(6*9)+(5*1)+(4*1)+(3*4)+(2*8)+(1*8)=134
134 % 10 = 4
So 59114-88-4 is a valid CAS Registry Number.

59114-88-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-(3-bromophenyl)prop-2-enoate

1.2 Other means of identification

Product number -
Other names 2-Propenoic acid,3-(3-bromophenyl)-,ethyl ester,(2E)

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:59114-88-4 SDS

59114-88-4Relevant academic research and scientific papers

Hypervalent iodine(iii) induced oxidative olefination of benzylamines using Wittig reagents

Ramavath, Vijayalakshmi,Rupanawar, Bapurao D.,More, Satish G.,Bansode, Ajay H.,Suryavanshi, Gurunath

, p. 8806 - 8813 (2021/05/26)

We have developed hypervalent iodine(iii) induced oxidative olefination of primary and secondary benzylamines using 2C-Wittig reagents, which provides easy access to α,β-unsaturated esters. Mild reaction conditions, good to excellent yields with high (E) selectivity, and a broad substrate scope are the key features of this reaction. We have successfully carried out the gram-scale synthesis of α,β-unsaturated esters.

Stereodivergent Nucleophilic Additions to Racemic β-Oxo Acid Derivatives: Fast Addition Outcompetes Stereoconvergence in the Archetypal Configurationally Unstable Electrophile

Crawford, Evan T.,De Jesús Cruz, Pedro,Johnson, Jeffrey S.,Liu, Shubin

supporting information, p. 16264 - 16273 (2021/10/21)

Additions of carbon nucleophiles to racemic α-stereogenic β-oxo acid derivatives that deliver enantiomerically enriched tertiary alcohols are valuable, but uncommon. This article describes stereodivergent Cu-catalyzed borylative cyclizations of racemic β-oxo acid derivatives bearing tethered pro-nucleophilic olefins to deliver highly functionalized cyclopentanols containing four contiguous stereogenic centers. The reported protocol is applicable to a range of β-oxo acid derivatives, and the diastereomeric products are readily isolable by typical chromatographic techniques. α-Stereogenic-β-keto esters are typically thought to have extreme or spontaneous configurational fragility, but mechanistic studies for this system reveal an unusual scenario wherein productive catalysis occurs on the same time scale as background substrate racemization and completely outcompetes on-cycle epimerization, even under the basic conditions of the reaction.

Metal-free domino Cloke-Wilson rearrangement-hydration-dimerization of cyclopropane carbaldehydes: A facile access to oxybis(2-aryltetrahydrofuran) derivatives

Banerjee, Prabal,Dey, Raghunath,Rajput, Shruti

, (2020/03/13)

In this work, we have demonstrated a metal-free transformation of cyclopropane carbaldehydes to oxybis(2-aryltetrahydrofuran) derivatives via a domino Cloke-Wilson rearrangement-hydration-dimerization sequence. Commercially inexpensive p-toluene sulfonic acid (PTSA) was used as a Br?nsted acid catalyst, and reactions were conducted in an open-flask. Detection of reaction intermediates were carried to get an insight into the reaction pathway.

Enantioselective Syntheses of Strychnos and Chelidonium Alkaloids through Regio- and Stereocontrolled Cooperative Catalysis

Fyfe, James W. B.,Hutchings-Goetz, Luke S.,Snaddon, Thomas N.,Yang, Chao

supporting information, p. 17556 - 17564 (2020/08/14)

We describe enantioselective syntheses of strychnos and chelidonium alkaloids. In the first case, indole acetic acid esters were established as excellent partner nucleophiles for enantioselective cooperative isothiourea/Pd catalyzed α-alkylation. This provides products containing indole-bearing stereocenters in high yield and with excellent levels of enantioinduction in a manner that is notably independent of the N-substituent. This led to concise syntheses of (?)-akuammicine and (?)-strychnine. In the second case, the poor performance of ortho-substituted cinnamyl electrophiles in the enantioselective cooperative isothiourea/Ir catalyzed α-alkylation was overcome by appropriate substituent choice, leading to enantioselective syntheses of (+)-chelidonine, (+)-norchelidonine, and (+)-chelamine.

GPR35 MODULATORS

-

Paragraph 00330, (2020/08/13)

Described herein are GPR35 modulators and methods of using these compounds in the treatment of diseases, disorders or conditions. Also described herein are pharmaceutical compositions containing such compounds.

Sequential Palladium-Catalyzed Allylic Alkylation/retro-Dieckmann Fragmentation Strategy for the Synthesis of α-Substituted Acrylonitriles

Katsina, Tania,Sharma, Sachi Prem,Buccafusca, Roberto,Quinn, Derek J.,Moody, Thomas S.,Arseniyadis, Stellios

supporting information, p. 9348 - 9352 (2019/11/20)

A straightforward synthesis of α-substituted acrylonitriles is described using 4-cyano-3-oxotetrahydro-thiophene (c-THT) as an acrylonitrile surrogate. This unprecedented two-step sequence featuring a palladium-catalyzed allylic alkylation (Pd-AA) and a retro-Dieckmann fragmentation provides a general entry into diversely substituted 1,4-dienes.

One-Pot Synthesis of α,β-Unsaturated Esters, Ketones, and Nitriles from Alcohols and Phosphonium Salts

Ding, Weijie,Hu, Juan,Jin, Huile,Yu, Xiaochun,Wang, Shun

, p. 107 - 118 (2017/09/28)

A general method for the synthesis of α,β-unsaturated esters, ketones, and nitriles is successfully achieved by a one-pot copper-catalyzed oxidation with O 2 in air as oxidant. The solvent mixture of acetonitrile and formamide (1:1) is optimized to ensure the oxidation of alcohols, deprotonation of phosphonium salt, and Wittig reaction occur efficiently in one pot. A broad range of substrates has been explored for this process, including three electron-withdrawing group (CO 2 Et, COPh, CN) functionalized phosphonium salts. They reacted not only with benzylic and heteroaromatic alcohols, but also with aliphatic alcohols, forming the corresponding α,β-unsaturated esters, ketones, and nitriles in moderate to excellent yields.

Rh(III)-Catalyzed Enaminone-Directed C-H Coupling with α-Diazo-α-phosphonoacetate for Reactivity Discovery: Fluoride-Mediated Dephosphonation for C-C Coupling Reactions

Song, Chao,Yang, Chen,Zeng, Hua,Zhang, Wenjing,Guo, Shan,Zhu, Jin

supporting information, p. 3819 - 3823 (2018/07/22)

Rh(III)-catalyzed enaminone-directed C-H coupling with α-diazo-α-phosphonoacetate has been used for the identification of fluoride-mediated dephosphonation C-C coupling reactivity for the synthesis of 4-hydroxy-1-naphthoates. Intermolecular C-C coupling of α-phosphonoacetate and benzaldehyde for (E)-selective α,β-unsaturated ester synthesis has also been achieved.

Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes

Mennie, Katrina M.,Banik, Steven M.,Reichert, Elaine C.,Jacobsen, Eric N.

supporting information, p. 4797 - 4802 (2018/04/17)

The stereoselective synthesis of syn-β-fluoroaziridine building blocks via chiral aryl iodide-catalyzed fluorination of allylic amines is reported. The method employs HF-pyridine as a nucleophilic fluoride source together with mCPBA as a stoichiometric oxidant, and affords access to arylethylamine derivatives featuring fluorine-containing stereocenters in high diastereo- and enantioselectivity. Catalyst-controlled diastereoselectivity in the fluorination of chiral allylic amines enabled the preparation of highly enantioenriched 1,3-difluoro-2-amines bearing three contiguous stereocenters. The enantioselective catalytic method was applied successfully to other classes of multifunctional alkene substrates to afford anti-β-fluoropyrrolidines, as well as a variety of 1,2-oxyfluorinated products.

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