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Benzenepropanoic acid, 4-chloro-, methyl ester, also known as 4-chlorophenylpropanoic acid methyl ester, is a chlorinated aromatic compound and a derivative of propanoic acid. It is a chemical compound that is widely used in various industries due to its versatile properties.

50561-69-8

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50561-69-8 Usage

Uses

Used in Pharmaceutical Industry:
Benzenepropanoic acid, 4-chloro-, methyl ester is used as an intermediate in the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the development of new drugs, contributing to the advancement of medical treatments.
Used in Agrochemical Industry:
This chemical compound is used in the manufacturing of agrochemicals, including pesticides and herbicides. Its application in this industry helps to protect crops from pests and diseases, ensuring a stable food supply.
Used in Flavoring and Fragrance Industry:
Benzenepropanoic acid, 4-chloro-, methyl ester is used as a flavoring agent and fragrance ingredient in various consumer products. Its aromatic properties make it suitable for enhancing the sensory experience of food, beverages, and personal care products.
Used in Organic Synthesis:
As an intermediate in organic synthesis, Benzenepropanoic acid, 4-chloro-, methyl ester plays a crucial role in the production of various chemical compounds. Its versatility in chemical reactions makes it an essential component in the synthesis of a wide range of products.
However, it is important to note that Benzenepropanoic acid, 4-chloro-, methyl ester is a potential irritant to the skin, eyes, and respiratory system. Therefore, proper safety measures and precautions should be taken when handling this chemical compound to minimize any adverse effects.

Check Digit Verification of cas no

The CAS Registry Mumber 50561-69-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,0,5,6 and 1 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 50561-69:
(7*5)+(6*0)+(5*5)+(4*6)+(3*1)+(2*6)+(1*9)=108
108 % 10 = 8
So 50561-69-8 is a valid CAS Registry Number.

50561-69-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chloro-phenyl)-propionic acid methyl ester

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 -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:50561-69-8 SDS

50561-69-8Relevant academic research and scientific papers

Manganese-catalyzed homogeneous hydrogenation of ketones and conjugate reduction of α,β-unsaturated carboxylic acid derivatives: A chemoselective, robust, and phosphine-free in situ-protocol

Topf, Christoph,Vielhaber, Thomas

, (2021/07/10)

We communicate a user-friendly and glove-box-free catalytic protocol for the manganese-catalyzed hydrogenation of ketones and conjugated C[dbnd]C[sbnd]bonds of esters and nitriles. The respective catalyst is readily assembled in situ from the privileged [Mn(CO)5Br] precursor and cheap 2-picolylamine. The catalytic transformations were performed in the presence of t-BuOK whereby the corresponding hydrogenation products were obtained in good to excellent yields. The described system offers a brisk and atom-efficient access to both secondary alcohols and saturated esters avoiding the use of oxygen-sensitive and expensive phosphine-based ligands.

Palladium-Catalyzed Alkoxycarbonylation of sec-Benzylic Ethers

Beller, Matthias,Jackstell, Ralf,Maes, Bert U. W.,Schneider, Carolin

, (2020/02/25)

Herein, we report the palladium-catalyzed synthesis of 3-arylpropionate esters starting from secondary benzylic ethers. With this investigation it could be shown that ethers are suitable starting materials in addition to the established carbonylation reactions of olefins, alcohols, or aryl halides.

Iron-catalysed 1,2-aryl migration of tertiary azides

Wei, Kaijie,Yang, Tonghao,Chen, Qing,Liang, Siyu,Yu, Wei

supporting information, p. 11685 - 11688 (2020/10/19)

1,2-Aryl migration of α,α-diaryl tertiary azides was achieved by using the catalytic system of FeCl2/N-heterocyclic carbene (NHC) SIPr·HCl. The reaction generated aniline products in good yields after one-pot reduction of the migration-resultant imines.

A general platinum-catalyzed alkoxycarbonylation of olefins

Beller, Matthias,Dühren, Ricarda,Franke, Robert,Ge, Yao,Huang, Weiheng,Jackstell, Ralf,Liu, Jiawang,Neumann, Helfried,Schneider, Carolin,Yang, Ji

supporting information, p. 5235 - 5238 (2020/07/30)

Hydroxy- and alkoxycarbonylation reactions constitute important industrial processes in homogeneous catalysis. Nowadays, palladium complexes constitute state-of-the-art catalysts for these transformations. Herein, we report the first efficient platinum-catalysed alkoxycarbonylations of olefins including sterically hindered and functionalized ones. This atom-efficient catalytic transformation provides straightforward access to a variety of valuable esters in good to excellent yields and often with high selectivities. In kinetic experiments the activities of Pd- and Pt-based catalysts were compared. Even at low catalyst loading, Pt shows high catalytic activity.

Intermolecular Radical C(sp3)?H Amination under Iodine Catalysis

Bosnidou, Alexandra E.,Mu?iz, Kilian

supporting information, p. 7485 - 7489 (2019/04/30)

The direct amination of aliphatic C?H bonds has remained one of the most tantalizing transformations in organic chemistry. Herein, we report on a unique catalyst system, which enables the elusive intermolecular C(sp3)?H amination. This practical synthetic strategy provides access to aminated building blocks and fosters innovative multiple C?H amination within a new approach to aminated heterocycles. The synthetic utility is demonstrated by the synthesis of four relevant pharmaceuticals.

Comparison of Phenylacetates with Benzoates and Phenylpropanoates as Antifeedants for the Pine Weevil, Hylobius abietis

Unelius, C. Rikard,Bohman, Bj?rn,Nordlander, G?ran

, p. 11797 - 11805 (2018/11/21)

This study concludes an extensive investigation of antifeedants for the pine weevil, Hylobius abietis (Coleoptera: Curculionidae), an economically important pest of planted conifer seedlings. Building on the previously reported antifeedant effects of benzoates and phenylpropanoids (aromatic compounds with one- or three-carbon-atom substituents on the benzene ring), we here report the antifeedant effects of compounds with two-carbon-atom side chains (i.e., phenylacetates). We also present new results; the best antifeedants from the benzoate class were tested at 10-fold lower concentrations in order to find the optimal antifeedants. Generally, for all three compound classes, efficient antifeedants were found to have one or two methyl, chloro, or methoxy substituents on the aromatic ring. For monosubstituted phenylpropanoids, the substituent preferably should be in the para-position. In the search for synergistic antifeedant effects among the three compound classes, combinations of compounds from the three classes were tested in binary and ternary mixtures.

Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C-C Coupling with Nitriles

Chong, Che Chang,Rao, Bin,Kinjo, Rei

, p. 5814 - 5819 (2017/09/15)

1,3,2-Diazaphospholene 1 catalyzes the conjugate transfer hydrogenation as well as the 1,4-hydroboration of α,β-unsaturated esters. The initial step for both processes involves a 1,4-hydrophosphination of the α,β-unsaturated esters to afford a phosphinyl enol ether. Subsequent cleavage of the P-O bond in the phosphinyl enol ether by ammonia-borane (AB) generates an enol intermediate which tautomerizes to saturated esters, while the P-O bond cleavage by HBpin via a formal σ-bond metathesis affords boryl enolate intermediate. The latter could undergo a further coupling reaction with nitriles to form substituted amino diesters or 1,3-imino esters, depending on α,β-unsaturated ester substrates. These catalytic reactions can also be performed in a one-pot manner, illustrating a protocol for metal-free catalytic C-C bond construction.

Palladium-Catalyzed Carbonylation of sec- and tert-Alcohols

Dong, Kaiwu,Sang, Rui,Liu, Jie,Razzaq, Rauf,Franke, Robert,Jackstell, Ralf,Beller, Matthias

supporting information, p. 6203 - 6207 (2017/05/22)

A general palladium-catalyzed synthesis of linear esters directly from sec- and tert-alcohols is described. Compared to the classic Koch–Haaf reaction, which leads to branched products, this new transformation gives the corresponding linear esters in high yields and selectivity. Key for this protocol is the use of an advanced palladium catalyst system with L2 (pytbpx) as the ligand. A variety of aliphatic and benzylic alcohols can be directly used and the catalyst efficiency for the benchmark reaction is outstanding (turnover number up to 89 000).

New class of bioluminogenic probe based on bioluminescent enzyme-induced electron transfer: BioLeT

Takakura, Hideo,Kojima, Ryosuke,Kamiya, Mako,Kobayashi, Eiji,Komatsu, Toru,Ueno, Tasuku,Terai, Takuya,Hanaoka, Kenjiro,Nagano, Tetsuo,Urano, Yasuteru

supporting information, p. 4010 - 4013 (2015/04/14)

Bioluminescence imaging (BLI) has advantages for investigating biological phenomena in deep tissues of living animals, but few design strategies are available for functional bioluminescent substrates. We propose a new design strategy (designated as bioluminescent enzyme-induced electron transfer: BioLeT) for luciferin-based bioluminescence probes. Luminescence measurements of a series of aminoluciferin derivatives confirmed that bioluminescence can be controlled by means of BioLeT. Based on this concept, we developed bioluminescence probes for nitric oxide that enabled quantitative and sensitive detection even in vivo. Our design strategy should be applicable to develop a wide range of practically useful bioluminogenic probes.

A recyclable CO surrogate in regioselective alkoxycarbonylation of alkenes: Indirect use of carbon dioxide

Gehrtz,Hirschbeck,Fleischer

supporting information, p. 12574 - 12577 (2015/08/06)

Herein, we report a Pd-catalysed alkoxycarbonylation of alkenes based on the use of a recyclable CO2 reduction product, the crystalline and air-stable N-formylsaccharin, as a CO surrogate. The carbonylation proceeds under ambient conditions in an exceptionally complementary regioselective fashion yielding the desired branched products from styrene derivatives and valuable linear esters from alkyl-substituted alkenes.

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