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Methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate is a chemical compound characterized by the molecular formula C11H12O5. It is an ester derivative featuring a benzene ring, a carboxylate group, and functional methoxy and oxoethyl substituents. This versatile chemical is known for its distinctive sweet, floral, and fruity scent, making it a valuable component in the creation of various fragrances and flavors.

716-43-8

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716-43-8 Usage

Uses

Used in Flavoring and Fragrance Industry:
Methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate serves as a flavoring agent and fragrance ingredient, capitalizing on its pleasant and complex aroma profile. It is incorporated into food products to enhance taste and into cosmetics and perfumes to provide a desirable scent.
Used in Perfumery:
In the perfumery industry, methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate is utilized as a key ingredient to contribute to the overall scent composition of colognes and other fragranced products, leveraging its sweet and floral notes to create a more appealing and enduring fragrance.
Used in Organic Synthesis:
Due to its unique chemical structure, methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate finds applications in organic synthesis, where it can be used as a building block or a reagent in the preparation of more complex organic molecules.
Used in Pharmaceutical Industry:
methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate also holds potential in the pharmaceutical sector, where its chemical properties may be harnessed for the development of new drugs or as an intermediate in the synthesis of existing medications.

Check Digit Verification of cas no

The CAS Registry Mumber 716-43-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,1 and 6 respectively; the second part has 2 digits, 4 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 716-43:
(5*7)+(4*1)+(3*6)+(2*4)+(1*3)=68
68 % 10 = 8
So 716-43-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H12O4/c1-14-10(12)7-8-5-3-4-6-9(8)11(13)15-2/h3-6H,7H2,1-2H3

716-43-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-(2-methoxy-2-oxoethyl)benzoate

1.2 Other means of identification

Product number -
Other names methyl 2-(methoxycarbonyl)-phenylacetate

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:716-43-8 SDS

716-43-8Relevant academic research and scientific papers

4-benzylideneisoquinoline-1,3(2H,4H)-diones as tyrosyl DNA phosphodiesterase 2 (TDP2) inhibitors

Senaweera, Sameera,He, Tianyu,Cui, Haixi,Aihara, Hideki,Wang, Zhengqiang

, p. 371 - 386 (2020/11/23)

Tyrosyl-DNA phosphodiesterase 2 (TDP2) repairs topoisomerase II (Top2) mediated DNA damages, including double-strand breaks (DSBs) that underpin the anticancer mechanism of clinical Top2 poisons such as etoposide (ETP). Inhibition of TDP2 could sensitize

Design, Synthesis, and Structural Analysis of Cladosporin-Based Inhibitors of Malaria Parasites

Babbar, Palak,Das, Pronay,Manickam, Yogavel,Mankad, Yash,Yadav, Swati,Parvez, Suhel,Sharma, Amit,Reddy, D. Srinivasa

, p. 1777 - 1794 (2021/05/10)

Here we have described a systematic structure activity relationship (SAR) of a set of compounds inspired from cladosporin, a tool compound that targets parasite (Plasmodium falciparum) lysyl tRNA synthetase (KRS). Four sets of analogues, synthesized based on point changes in the chemical scaffold of cladosporin and other logical modifications and hybridizations, were assessed using high throughput enzymatic and parasitic assays along with in vitro pharmacokinetics. Co-crystallization of the most potent compound in our series (CL-2) with PfKRS revealed its structural basis of enzymatic binding and potency. Further, we report that CL-2 has performed better than cladosporin in terms of metabolic stability. It thus represents a new lead for further optimization toward the development of antimalarial drugs. Collectively, along with a lead compound, the series offers insights on how even the slightest chemical modification might play an important role in enhancing or decreasing the potency of a chemical scaffold.

IDO/TDO Inhibitor

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Paragraph 0493-0496; 0581-0584, (2020/08/19)

A compound of formula (I) given below or a pharmaceutically acceptable salt of the compound is useful as an IDO/TDO inhibitor. Thus, the compound of formula (I) or the pharmaceutically acceptable salt of the compound can be used as, for example, a therapeutic agent for a disease or a disorder selected from tumor, infectious disease, neurodegenerative disorder, cataract, organ transplant rejection, autoimmune disease, postoperative cognitive impairment, and disease related to women's reproductive health [in the following formula (I), ring A represents an aromatic ring, an aliphatic ring, a heterocyclic ring, or a condensed ring of two or more rings selected from an aromatic ring, an aliphatic ring and a heterocyclic ring; X, R1 and R2 represent a substituent on a ring atom constituting ring A; m represents an integer of 0 to 6; X represents, for example, a halogen atom; and R1 and R2 are the same or different and are selected from, for example, the group consisting of groups of formula (a) or formula (b); and in the following formula (a) and formula (b), Y is selected from the group consisting of O, S, and Se, Z is selected from the group consisting of O, S, and Se, n represents an integer of 1 to 8, r represents an integer of 1 to 8, s represents an integer of 1 to 8, R4 represents, for example, —C(═NH)—HN2, and R6 represents, for example, a substituted or unsubstituted aryl group].

Efficient flow fischer esterification of carboxylic acids with alcohols using sulfonic acid-functionalized silica as supported catalyst

Furuta, Akihiro,Fukuyama, Takahide,Ryu, Ilhyong

, p. 607 - 612 (2017/06/19)

Flow Fischer esterification of carboxylic acids using hydroxy-substituted sulfonic acid-functionalized silica (HOSAS) packed into a stainless steel column reactor was investigated. HO-SAS well catalyzed flow esterification of long chain carboxylic acids with methanol within 3min of residence time at 110°C, and the methyl esters were quantitatively obtained. The flow esterification protocol was applied to the synthesis of a variety of esters (19 examples) and scalable synthesis was also successful.

Crystal Photodimerization Reactions of Spatially Engineered Isocoumarin Assemblies

Weerasinghe, Mihiri S.,Karlson, Steven T.,Lu, Yuhua,Wheeler, Kraig A.

, p. 1781 - 1785 (2016/05/09)

We report the single-crystal-to-single-crystal (SCSC) photodimerization of a sulfonamide isocoumarin. When recrystallized, this material forms centrosymmetrically related supramolecular dimers that assemble via the complementary features of molecular shap

Biomass derived β-cyclodextrin-SO3H as a solid acid catalyst for esterification of carboxylic acids with alcohols

Thombal, Raju S.,Jadhav, Amol R.,Jadhav, Vrushali H.

, p. 12981 - 12986 (2015/02/19)

A novel β-cyclodextrin-SO3H carbon based solid acid catalyst was prepared in a convenient and ecofriendly manner and was characterized using FTIR, PXRD, EDAX and NH3TPD to illustrate that the carbon material has been functionalized with -SO3H, -COOH and -OH groups. The catalyst was studied for esterification of various carboxylic acids and alcohols under solvent free conditions and showed excellent catalytic performance and gave good yields of esters in the range 78-99% at 70°C. No solvent was used either for catalyst preparation nor for esterification reaction. The catalyst can be easily recovered by simple filtration and reused for subsequent three runs without any significant impact on yields of products. The main advantage of this methodology is easy and ecofriendly catalyst preparation, easy catalyst separation, practical simplicity, safe reaction conditions, recyclable catalyst and high product yields.

Compositions and methods for the protection of nucleophilic groups

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Page/Page column 7; 26, (2016/01/25)

The present invention provides compositions, methods, and kits relating to the protection and deprotection of molecules comprising nucleophilic groups, such as the protection and deprotection of thermostable polymerases. Also provided are methods of performing nucleic acid amplification using polymerases protected according to the invention.

Compositions and methods for the protection of nucleophilic groups

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Page/Page column, (2014/04/17)

The present invention provides compositions, methods, and kits relating to the protection and deprotection of molecules comprising nucleophilic groups, such as the protection and deprotection of thermostable polymerases. Also provided are methods of performing nucleic acid amplification using polymerases protected according to the invention.

A convenient procedure for bis-esterification of cyclic anhydrides

Jana, Amit Kumar,Karmakar, Raju,Dinda, Bidyut Kumar,Mitra, Prithiba,Ghosh, Ketaki,Karmakar, Rajdip,Mal, Dipakranjan

, p. 975 - 979 (2012/10/29)

Aromatic and aliphatic cyclic anhydrides are chemoselectively and conveniently transformed to the corresponding diesters by the use of DBU and appropriate alkyl/allyl halides. This bis-esterification reaction has been exemplified mostly with dimethyl esters. But in some cases, mixed dialkyl esters are also prepared.

2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS

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Page/Page column 62, (2012/07/13)

The present invention relates to compounds and compositions acting as inhibitors of HIV integrase. The compound of the invention is of Formula (I), or a tautomer (I') thereof, or a pharmaceutically acceptable salt, or solvate of said compound or tautomer

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