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3-(4-chloro-phenyl)-propionic acid ethyl ester is a chemical compound with the molecular formula C11H13ClO2. It is an ethyl ester derivative of 3-(4-chloro-phenyl)-propionic acid, which is a non-steroidal anti-inflammatory drug (NSAID). This colorless and odorless liquid is insoluble in water but soluble in organic solvents. Its chloro-phenyl group and anti-inflammatory properties make it a versatile compound with potential applications in both pharmaceuticals and agrochemicals.

7116-36-1

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7116-36-1 Usage

Uses

Used in Pharmaceutical Industry:
3-(4-chloro-phenyl)-propionic acid ethyl ester is used as a building block for the synthesis of various pharmaceuticals. Its anti-inflammatory properties make it valuable for the development of non-steroidal anti-inflammatory drugs (NSAIDs) that can be used to relieve pain and inflammation.
Used in Agrochemical Industry:
3-(4-chloro-phenyl)-propionic acid ethyl ester is used as a potential pesticide due to its chloro-phenyl group. This chemical can be utilized in the development of agrochemicals to protect crops from pests and diseases, contributing to increased agricultural productivity.

Check Digit Verification of cas no

The CAS Registry Mumber 7116-36-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 7,1,1 and 6 respectively; the second part has 2 digits, 3 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 7116-36:
(6*7)+(5*1)+(4*1)+(3*6)+(2*3)+(1*6)=81
81 % 10 = 1
So 7116-36-1 is a valid CAS Registry Number.
InChI:InChI=1/C11H13ClO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-4,6-7H,2,5,8H2,1H3

7116-36-1SDS

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 ethyl 3-(4-chlorophenyl)propanoate

1.2 Other means of identification

Product number -
Other names Ethyl p-chlorohydrocinnamate

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:7116-36-1 SDS

7116-36-1Relevant academic research and scientific papers

Selective hydrogenation of α,β-unsaturated carbonyl compounds on silica-supported copper nanoparticles

Mendes-Burak, Jorge,Ghaffari, Behnaz,Copéret, Christophe

supporting information, p. 179 - 181 (2019/01/04)

Silica-supported copper nanoparticles prepared via surface organometallic chemistry are highly efficient for the selective hydrogenation of various α,β-unsaturated carbonyl compounds yielding the corresponding saturated esters, ketones, and aldehydes in the absence of additives. High conversions and selectivities (>99%) are obtained for most substrates upon hydrogenation at 100-150 °C and under 25 bar of H2.

Anodic benzylic C(sp3)-H amination: Unified access to pyrrolidines and piperidines

Herold, Sebastian,Bafaluy, Daniel,Mu?iz, Kilian

, p. 3191 - 3196 (2018/07/29)

An electrochemical aliphatic C-H amination strategy was developed to access the important heterocyclic motifs of pyrrolidines and piperidines within a uniform reaction protocol. The mechanism of this unprecedented C-H amination strategy involves anodic C-H activation to generate a benzylic cation, which is efficiently trapped by a nitrogen nucleophile. The applicability of the process is demonstrated for 40 examples comprising both 5- and 6-membered ring formations.

The unexpected kinetic effect of enzyme mixture: The case of enzymatic esterification

Zysk, Malgorzata,Zadlo, Anna,Brodzka, Anna,Wisniewska, Catalina,Ostaszewski, Ryszard

, p. 225 - 229 (2014/04/03)

During the studies towards synthesis of carboxylic acids esters, using ethyl carbonate and carboxylic acid as substrates, we found that different single enzyme systems provide model ethyl 3-phenylpropanoate in very low yield. Systematic studies proved tha

Titanocene-catalyzed conjugate reduction of αβ-unsaturated carbonyl derivatives

Ashfeld, Brandon L.,Kosal, Andrew D.

scheme or table, p. 44 - 47 (2010/03/03)

"Chemical Equation Presented" A titanocene-catalyzed conjugate reduction of αβ-unsaturated carbonyl derivatives has been developed. A series of carbonyl compounds including aldehydes, ketones, esters, and amides proved viable in the reduction process providing an efficient, chemoselective method for the catalytic reduction of unsaturated carbonyl derivatives.

2-IMIDAZOLINES

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Page/Page column 22, (2009/01/24)

The present invention relates to compounds of formula I wherein X—Y, R1, and n are as defined herein and to their pharmaceutically active salts. Compounds of formula I have a good affinity to the trace amine associated receptors (TAARs), especially for TAAR1 and are useful for the treatment of depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder (ADHD), stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders such as Alzheimer's disease, epilepsy, migraine, hypertension, substance abuse and metabolic disorders such as eating disorders, diabetes, diabetic complications, obesity, dyslipidemia, disorders of energy consumption and assimilation, disorders and malfunction of body temperature homeostasis, disorders of sleep and circadian rhythm, and cardiovascular disorders.

C-C bond formation from alcohols and malonate half esters using borrowing hydrogen methodology

Pridmore, Simon J.,Williams, Jonathan M.J.

scheme or table, p. 7413 - 7415 (2009/05/11)

Alcohols have been used as alkylating agents in a decarboxylative reaction with malonate half esters via a borrowing hydrogen pathway catalysed by readily available Ru(PPh3)3Cl2.

Rhodium fluoroapatite catalyzed conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds

Kantam, Mannepalli Lakshmi,Subrahmanyam, Vura Bala,Kumar, Kota Balaji Shiva,Venkanna, Gopaladasu T.,Sreedhar, Bojja

scheme or table, p. 1947 - 1953 (2009/02/07)

Rhodium fluoroapatite (RhFAP) is an efficient catalyst for conjugate addition of organoboron reagents to α,β-unsaturated carbonyl compounds. A variety of arylboronic acids and α,β-unsaturated carbonyl compounds were converted to the corresponding conjugat

Acrolein diethyl acetal: A three-carbon homologating reagent for the synthesis of β-arylpropanoates and cinnamaldehydes by heck reaction catalyzed by a Kaiser oxime resin derived palladacycle

Alacid, Emilio,Najera, Carmen

experimental part, p. 3102 - 3106 (2009/04/11)

A polymer palladacycle derived from Kaiser oxime resin was used as a source of palladium(0) in the chemoselective Heck reaction of acrolein diethyl acetal with aryl halides under ligand-free conditions. The use of typical Heck conditions afforded 3-arylpropionic esters, and the process can be directed to the synthesis of cinnamaldehydes under Cacchi conditions. These processes take place with rather low loading of the catalyst, which can be recovered by simple filtration and reused for at least five runs without competitive dehalogenation. This is the first time that a supported palladium complex has been reused under Cacchi conditions. ICP-OES analyses of the Pd content of the crude products in both transformations indicated lower leaching for the esters than for the aldehydes in the range up to 0.08 ppm for the esters and 0.8 ppm for the aldehydes. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.

Structure-activity relationships of phenylpropanoids as antifeedants for the pine weevil Hylobius abietis

Bohman,Nordlander,Nordenhem,Sunnerheim,Borg-Karlson,Unelius

, p. 339 - 352 (2008/09/18)

Ethyl cinnamate has been isolated from the bark of Pinus contorta in the search for antifeedants for the pine weevil, Hylobius abietis. Based on this lead compound, a number of structurally related compounds were synthesized and tested. The usability of the Topliss scheme, a flow diagram previously used in numerous structure-activity relationship (SAR) studies, was evaluated in an attempt to find the most potent antifeedants. The scheme was initially followed stepwise; subsequently, all compounds found in the scheme were compared. In total, 51 phenylpropanoids were tested and analyzed for SARs by using arguments from the field of medicinal chemistry (rational drug design). Individual Hansch parameters based on hydrophobicity, steric, and electronic properties were examined. The effects of position and numbers of substituents on the aromatic ring, the effects of conjugation in the molecules, and the effects of the properties of the parent alcohol part of the esters were also evaluated. It proved difficult to find strong SARs derived from single physicochemical descriptors, but our study led to numerous new, potent, phenylpropanoid antifeedants for the pine weevil. Among the most potent were methyl 3-phenylpropanoates monosubstituted with chloro, fluoro, or methyl groups and the 3,4-dichlorinated methyl 3-phenylpropanoate.

Immobilization of palladium acetate on ionic liquid copolymerized polystyrene: A way to eliminate inhibiting effect of imidazolium chloride and enhance catalytic performance

Sugimura, Rie,Kun, Qiao,Tomida, Daisuke,Kume, Yohei,Yokoyama, Chiaki

, p. 874 - 875 (2008/02/12)

Immobilization of palladium acetate on a novel polymeric support that is prepared by copolymerization of 3-butyl-1-vinylimidazolium chloride with styrene is demonstrated to be an effective way to eliminate inhibiting effect of imidazolium chloride and enhance catalytic performance. Copyright

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