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4-Chlorophenol acetate, also known as p-chlorophenol acetate or para-chlorophenyl acetate, is a complex organic synthetic chemical compound that consists of elements such as chlorine, phenol, and acetate. It is characterized by its white crystalline solid structure at room temperature and is soluble in alcohol and ether. Due to its chemical properties, it is primarily used in the field of organic chemistry as a reagent or intermediate in various chemical reactions and synthesis. However, it is important to note that, like many chlorinated aromatic compounds, 4-chlorophenol acetate may possess toxic properties, and its handling requires appropriate safety measures.

876-27-7

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876-27-7 Usage

Uses

Used in Organic Chemistry:
4-Chlorophenol acetate is used as a reagent in various chemical reactions and synthesis processes. Its unique structure and properties make it a valuable component in the development of new organic compounds and materials.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-chlorophenol acetate is used as an intermediate in the synthesis of certain pharmaceutical compounds. Its ability to participate in various chemical reactions allows for the creation of new drug molecules with potential therapeutic applications.
Used in Agrochemical Industry:
4-Chlorophenol acetate is also utilized in the agrochemical industry, where it serves as an intermediate in the production of certain pesticides and other agricultural chemicals. Its involvement in the synthesis of these compounds contributes to the development of effective solutions for pest control and crop protection.
Used in Chemical Research:
In the field of chemical research, 4-chlorophenol acetate is employed as a research tool to study the properties and reactions of chlorinated aromatic compounds. Its unique structure and reactivity provide valuable insights into the behavior of similar compounds and contribute to the advancement of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 876-27-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,7 and 6 respectively; the second part has 2 digits, 2 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 876-27:
(5*8)+(4*7)+(3*6)+(2*2)+(1*7)=97
97 % 10 = 7
So 876-27-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H7ClO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3

876-27-7SDS

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 (4-chlorophenyl) acetate

1.2 Other means of identification

Product number -
Other names Phenol,p-chloro-,acetate

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:876-27-7 SDS

876-27-7Relevant academic research and scientific papers

Activation parameters of transesterification of 4-nitrophenyl acetate in the presence of k2co3 in DMF

Os'kina, I. A.

, (2012)

The activation parameters for the reactions of 4-nitrophenyl acetate with 4-chlorophenol and benzenethiol in the presence of potassium carbonate in dimethylformamide were determined. Depending on the substrate structure, the enthalpy and entropy of activa

Noncross-linked polystyrene nanoencapsulation of ferric chloride: A novel and reusable heterogeneous macromolecular Lewis acid catalyst toward selective acetylation of alcohols, phenols, amines, and thiols

Alinejad, Sara,Donyapeyma, Ghazaleh,Rahmatpour, Ali

, (2022/01/24)

Ferric chloride has been successfully nanoencapsulated for the first time on a non-cross-linked polystyrene matrix as the shell material via the coacervation technique. The resulting polystyrene nanoencapsulated ferric chloride was used as a novel and rec

Magnetically recyclable silica-coated ferrite magnetite-K10montmorillonite nanocatalyst and its applications in O, N, and S-acylation reaction under solvent-free conditions

Kumar, Pushpendra,Patil, Shripad M.,Tandon, Nitin,Tandon, Runjhun

, p. 21291 - 21300 (2021/07/01)

Novel silica-coated ferrite nanoparticles supported with montmorillonite (K10) have been prepared successfully by using a simple impregnation method. Further, these nanoparticles were characterized by using different analytical methods like FT-IR, PXRD, EDS, and FE-SEM techniques. In addition, these nanoparticles have been explored for their catalytic activity for the O, N, and S-acylation reactions under solvent-free conditions which gave moderate to excellent yields in a much shorter reaction time. Moreover, these nanoparticles could easily be separated out from the reaction medium after the reaction completion by using an external magnetic field and have been re-used for 10 cycles without any significant loss of the catalytic activity.

Chromone dioxadiazole compound as well as preparation method and application thereof

-

Paragraph 0021-0023, (2021/10/30)

The preparation method comprises the following steps: adding an intermediate F and bis (acetoxy) iodobenzene to dichloromethane for reaction to obtain the chromone compound. The invention provides a novel chromone dioxadiazole compound and a preparation method thereof, and overcomes the defects of large toxicity and high preparation cost of the traditional method.

An efficient method to prepare aryl acetates by the carbonylation of aryl methyl ethers or phenols

Zhang, Dejin,Yang, Guoqiang,Xiong, Junping,Liu, Jia,Hu, Xingbang,Zhang, Zhibing

, p. 2683 - 2687 (2021/02/16)

Synthesis of valuable chemicals from lignin based compounds is critical for the application of biomass. Here, we develop a method of preparing aryl acetates by the carbonylation of aryl methyl ethers or phenols under low CO pressure. Good to excellent yields of aryl acetates were obtained using different substrates, and a possible reaction mechanism was proposed by conducting a series of control experiments. This method may provide a potential way for the utilization of lignin.

Method for promoting acylation of amine or alcohol by carbon dioxide

-

Paragraph 0034-0035, (2021/05/29)

The invention relates to a method for promoting acylation of amine or alcohol by carbon dioxide, which comprises the following steps of: mixing an amine compound, carboxylate or thiocarboxylate compound and a reaction solvent under the action of carbon dioxide, and reacting to obtain an amide compound, or under the action of carbon dioxide, mixing the alcohol compound, the thiocarboxylate compound and the reaction solvent [gamma]-valerolactone, and reacting to obtain the ester compound. According to the invention, under the promotion action of carbon dioxide, carboxylate or thiocarboxylate is used as an acylation reagent, and amine and alcohol are converted into amide and ester compounds in the absence of a transition metal catalyst, so that acylation reagents such as acyl chloride or anhydride with irritation and corrosivity are avoided; and the method has the advantages of simple operation, mild reaction conditions, high tolerance of substrate functional groups, strong applicability and high yield, and provides an efficient, reliable and economical preparation method for synthesis of amide and ester compounds.

Novel p-functionalized chromen-4-on-3-yl chalcones bearing astonishing boronic acid moiety as MDM2 inhibitor: Synthesis, cytotoxic evaluation and simulation studies

Bhatia, Richa Kaur,Coutinho, Evans C.,Garg, Ruchika,Kancherla, Satyavathi,Kaur, Maninder,Madan, Jitender,Pissurlenkar, Raghuvir R. S.,Singh, Lakhwinder,Yadav, Manmohan

, p. 212 - 228 (2020/03/10)

Background: Novel 4-[3-(6/7/8-Substituted 4-Oxo-4H-chromen-3-yl)acryloyl]phenyl-boronic acid derivatives (5a-h) as well as other 6/7/8-substituted-3-(3-oxo-3-(4-substituted-phenyl)prop-1-enyl)-4H-chromen-4-one derivatives (3a-u) have been designed as p53-MDM2 pathway inhibitors and reported to possess significant cytotoxic properties against several cancer cell lines. Objectives: The current project aims to frame the structure-anticancer activity relationship of chromen-4-on-3-yl chalcones (3a-u/5a-h). In addition, docking studies were performed on these chromeno-chalcones in order to have an insight into their interaction possibilities with MDM2 pro-tein. Methods: Twenty-nine chromen-4-on-3-yl chalcone derivatives (3a-u/5a-h) were prepared by utilizing silica supported-HClO4 (green route with magnificent yield) and tested against four cancer cell lines (HCT116, MCF-7, THP-1, NCIH322). Results: Among the series 3a-u, compound 3b exhibited the highest anticancer activity (with IC50 values ranging from 8.6 to 28.4 μM) overall against tested cancer cell lines. Interestingly, para-Boronic acid derivative (5b) showed selective inhibition against colon cancer cell line, HCT-116 with an IC50 value of 2.35 μM. Besides the emblematic hydrophobic interactions of MDM2 inhibi-tors, derivative 5b was found to exhibit extra hydrogen bonding with GLN59 and GLN72 residues of MDM2 in molecular dynamics (MD) simulation. All the compounds were virtually nontoxic against normal fibroblast cells. Conclusion: Novel compounds were obtained with good anticancer activity especially 6-Chlorochromen-4-one substituted boronic acid derivative 5b. The molecular docking study proposed good activity as a MDM-2 inhibitor suggesting hydrophobic as well as hydrogen bonding interactions with MDM2.

Synthesis and anti-inflammatory activity of 2-oxo-2H-chromenyl and 2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates

Bhimapaka, China Raju,Karri, Shailaja,Kuncha, Madhusudana,Kurma, Siva Hariprasad,Sistla, Ramakrishna

, (2020/06/22)

Cycloaddition reaction of 4-chloro-2-oxo-2H-chromene-3-carbaldehydes (3a-g) and 4-chloro-2H-chromene-3-carbaldehydes (7a-h) with activated alkynes (4a-b) provided the 2-oxo-2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates (5a-n) and 2H-chromenyl-5-oxo-2,5-dihydrofuran-3-carboxylates (8a-p). All the prepared compounds were screened for anti-inflammatory activity. In vitro anti-inflammatory activity data demonstrated that the compounds 5g, 5i, 5k-l and 8f are effective among the tested compounds against TNF-α (1.108 ± 0.002, 0.423 ± 0.022, 0.047 ± 0.001, 0.070 ± 0.002 and 0.142 ± 0.001 μM) in comparison with standard compound Prednisolone (0.033 ± 0.002 μM). Based on in vitro results, three compounds (5i, 5k and 8f) have been selected for in vivo experiments and these compounds are identified as better compounds with respect to anti-inflammatory activity in LPS induced mice model. Compound 5i was identified as potent and showed significant reduction in TNF-α and IL-6.

Environmentally benign decarboxylative: N-, O-, and S-Acetylations and acylations

Ghosh, Santanu,Purkait, Anisha,Jana, Chandan K.

, p. 8721 - 8727 (2020/12/30)

An operationally simple and general method for acetylation and acylation of a wide variety of substrates (amines, alcohols, phenols, thiols, and hydrazones) has been reported. Meldrum's acid and its derivatives have been used as an air-stable, non-volatile, cost-effective, and easy to handle acetylating/acylating agent. Easily separable byproducts (CO2 and acetone) allowed the isolation of analytically pure acetylated products without the requirement of work-up and any chromatography. This journal is

Fe3O4@PEG core/shell nanoparticles as magnetic nanocatalyst for acetylation of amines and alcohols using ultrasound irradiations under solvent-free conditions

Veisi, Hojat,Nikseresht, Ahmad,Rostami, Afsaneh,Hemmati, Saba

, p. 507 - 520 (2018/10/24)

Abstract: Ultrasound irradiation was used to prepare one-pot Fe3O4@PEG core/shell nanostructure for the first time. The morphology, structure, and physicochemical properties were specified by different analytical techniques including field emission scanning electron microscopy, Fourier transform infrared spectroscopy, energy-dispersive X-ray spectroscopy, transmission electron microscopy, X-ray powder diffraction, and vibrating sample magnetometer. For acetylation of phenols, alcohols, and amines, the synthesized Fe3O4@PEG core/shell nanoparticles were used as an efficient heterogeneous and green catalyst with acetic anhydride under sonication applying mild reaction conditions. Different electron-withdrawing and electron-donating substrates indicate a prominent yield of desired products with the merit of reusability of Fe3O4@PEG nanocatalyst and magnetic separation. Graphical Abstract: [Figure not available: see fulltext.].

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