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52787-19-6

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52787-19-6 Usage

Description

2-(3-(methoxycarbonyl)phenyl)acetic acid is a chemical compound characterized by its molecular formula C11H12O4. It manifests as a white crystalline powder, featuring a phenylacetic acid backbone with a distinctive methoxycarbonyl group attached to the third carbon of the phenyl ring. This structural attribute endows it with significant utility as an intermediate in the synthesis of a variety of pharmaceuticals and organic compounds, highlighting its importance in the chemical and pharmaceutical industries.

Uses

Used in Pharmaceutical Industry:
2-(3-(methoxycarbonyl)phenyl)acetic acid serves as an intermediate for the synthesis of various pharmaceuticals, leveraging its unique chemical structure to contribute to the development of new medications.
Used in Anti-inflammatory and Analgesic Medications:
2-(3-(methoxycarbonyl)phenyl)acetic acid is utilized as an active pharmaceutical ingredient, providing anti-inflammatory and analgesic effects, making it beneficial for the treatment of conditions characterized by pain and inflammation.
Used in Antipyretic and Analgesic Drug Production:
2-(3-(methoxycarbonyl)phenyl)acetic acid is employed as a key component in the formulation of antipyretic and analgesic drugs, targeting the reduction of fever and alleviation of pain.
Used in Agrochemical Synthesis:
In the agrochemical industry, 2-(3-(methoxycarbonyl)phenyl)acetic acid is used as a precursor in the synthesis of various agrochemicals, contributing to the development of products that enhance crop protection and yield.
Used in the Production of Fine Chemicals:
2-(3-(methoxycarbonyl)phenyl)acetic acid also finds application in the synthesis of fine chemicals, where its specific properties are harnessed to create high-purity specialty chemicals for various applications in industries such as cosmetics, fragrances, and more.

Check Digit Verification of cas no

The CAS Registry Mumber 52787-19-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,2,7,8 and 7 respectively; the second part has 2 digits, 1 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 52787-19:
(7*5)+(6*2)+(5*7)+(4*8)+(3*7)+(2*1)+(1*9)=146
146 % 10 = 6
So 52787-19-6 is a valid CAS Registry Number.

52787-19-6SDS

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 2-(3-(methoxycarbonyl)phenyl) acetic acid

1.2 Other means of identification

Product number -
Other names 2-(3-(methoxycarbonyl)phenyl)acetic acid

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:52787-19-6 SDS

52787-19-6Relevant articles and documents

Visible-light photoredox-catalyzed selective carboxylation of C(sp3)?F bonds with CO2

Bo, Zhi-Yu,Chen, Lin,Gao, Tian-Yu,Jing, Ke,Lan, Yu,Liu, Shi-Han,Luo, Shu-Ping,Yan, Si-Shun,Yu, Bo,Yu, Da-Gang

, p. 3099 - 3113 (2021/11/16)

It is highly attractive and challenging to utilize carbon dioxide (CO2), because of its inertness, as a nontoxic and sustainable C1 source in the synthesis of valuable compounds. Here, we report a novel selective carboxylation of C(sp3)?F bonds with CO2 via visible-light photoredox catalysis. A variety of mono-, di-, and trifluoroalkylarenes as well as α,α-difluorocarboxylic esters and amides undergo such reactions to give important aryl acetic acids and α-fluorocarboxylic acids, including several drugs and analogs, under mild conditions. Notably, mechanistic studies and DFT calculations demonstrate the dual role of CO2 as an electron carrier and electrophile during this transformation. The fluorinated substrates would undergo single-electron reduction by electron-rich CO2 radical anions, which are generated in situ from CO2 via sequential hydride-transfer reduction and hydrogen-atom-transfer processes. We anticipate our finding to be a starting point for more challenging CO2 utilization with inert substrates, including lignin and other biomass.

ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model

Hiramatsu, Atsushi,Hirooka, Yasuo,Hisaichi, Katsuya,Imagawa, Akira,Iwaki, Yuzo,Katoh, Makoto,Kobayashi, Juta,Komichi, Yuka,Maeda, Tatsuo,Matsumura, Naoya,Moriguchi, Hideki,Nakatani, Shingo,Nishiyama, Taihei,Ohhata, Akira,Okabe, Yasuyuki,Okada, Masahiro,Ota, Hiroto,Saga, Hiroshi,Sugiyama, Tetsuya,Watanabe, Toshihide,Yamamoto, Shingo

, p. 1335 - 1341 (2020/07/06)

Lysophosphatidic acid (LPA) is a bioactive lipid mediator that elicits a number of biological functions, including smooth muscle contraction, cell motility, proliferation, and morphological change. LPA is endogenously produced by autotaxin (ATX) from extracellular lysophosphatidylcholine (LPC) in plasma. Herein, we report our medicinal chemistry effort to identify a novel and highly potent ATX inhibitor, ONO-8430506 (20), with good oral availability. To enhance the enzymatic ATX inhibitory activity, we designed several compounds by structurally comparing our hit compound with the endogenous ligand LPC. Further optimization to improve the pharmacokinetic profile and enhance the ATX inhibitory activity in human plasma resulted in the identification of ONO-8430506 (20), which enhanced the antitumor effect of paclitaxel in a breast cancer model.

Design, synthesis, SAR and biological investigation of 3-(carboxymethyl)rhodanine and aminothiazole inhibitors of Mycobacterium tuberculosis Zmp1

Mori, Mattia,Deodato, Davide,Kasula, Mohan,Ferraris, Davide M.,Sanna, Adriana,De Logu, Alessandro,Rizzi, Menico,Botta, Maurizio

supporting information, p. 637 - 641 (2018/02/06)

Sixteen 3-(carboxymethyl)rhodanines, and twelve aminothiazoles as rhodanine-mimetics were designed, synthesized and tested as inhibitors of the Zmp1 enzyme from Mycobacterium tuberculosis (Mtb). Almost all rhodanines (5a–d, 5f–n, and 7a–b) exhibited Zmp1 inhibition with IC50 values in the range 1.3–43.9 μM, whereas only aminothiazoles 12b and 12d proved active with IC50 values of 41.3 and 35.7 μM, respectively. Structure-activity relationships (SAR) were coupled with molecular modeling studies to highlight structural determinants for Zmp1 inhibition. Moreover, rhodanines 5a and 5c induced 23.4 and 53.8% of Mtb growth inhibition in THP-1 infected cells, respectively, at the non-toxic concentration of 10 μg/ml. This work represents a step forward in targeting Zmp1 by small molecules.

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