716-43-8

Basic information

• Product Name: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate
• Synonyms: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate
• CAS NO: 716-43-8
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.22
• Mol File: 716-43-8.mol
• Article Data: 32

Chemical Properties

• Melting Point: 54.8-56.2 °C
• Boiling Point: 303.5°C at 760 mmHg
• Flash Point: 148.9°C
• Appearance: /
• Density: 1.155g/cm³
• Vapor Pressure: 0.000924mmHg at 25°C
• Refractive Index: 1.511
• CAS DataBase Reference: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate(716-43-8)
• EPA Substance Registry System: methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate(716-43-8)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 716-43-8(Hazardous Substances Data)

Usage

General Description

Methyl 2-(2-methoxy-2-oxoethyl)benzenecarboxylate is a chemical compound with the molecular formula C11H12O5. It is an ester with a benzene ring and a carboxylate group, as well as a methoxy and oxoethyl substituents. This chemical is commonly used as a flavoring agent and fragrance ingredient in the food and cosmetic industries. It has a sweet, floral, and fruity odor and is often used in perfumes, colognes, and other scented products. Additionally, it has potential applications in pharmaceuticals and organic synthesis due to its unique chemical structure and properties.

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

Upstream product

• 67-56-1 methanol 
• 89-51-0 Homophthalic acid 
• 186581-53-3 diazomethane 
• 85-44-9 phthalic anhydride 
• 74-88-4 methyl iodide 
• 703-59-3 homophthalic anhydride 
• 14736-50-6 o-(methoxycarbonylmethyl)benzoic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 77-78-1 dimethyl sulfate 
• 95-13-6 1-indene 
• 141-97-9 ethyl acetoacetate 
• 73927-93-2 (C₄H₉)3SnOOCC₆H₄I-2 
• 88-67-5 2-Iodobenzoic acid 
• 1807-49-4 2-diazo-indan-1,3-dione 

Downstream Products

• 437652-17-0 methyl β-(3,4-methylenedioxyphenyl)-α-(2-carboxyphenyl)acrylate 
• 612-35-1 2-Benzylbenzoic acid 
• 167541-86-8 methyl ester of 2-(2-carboxyphenyl)-3-(2-furyl)acrylic acid 
• 2897-86-1 methyl ester of 2-(2-carboxyphenyl)-3-phenylacrylic acid 
• 56260-42-5 trans-4-methoxycarbonyl-3-phenyl-3,4-dihydroisocoumarin 
• 89-51-0 Homophthalic acid 
• 14736-49-3 2-(2-(methoxycarbonyl)phenyl)acetic acid 
• 14736-50-6 o-(methoxycarbonylmethyl)benzoic acid 
• 703-59-3 homophthalic anhydride 
• 79401-55-1 2-[(E)-2-(3,4-Dimethyl-phenyl)-1-methoxycarbonyl-propenyl]-benzoic acid 
• 79401-54-0 2-[(Z)-2-(3,4-Dimethyl-phenyl)-1-methoxycarbonyl-propenyl]-benzoic acid 
• 104292-98-0 methyl 2-(1-methoxy-1-oxopropan-2-yl)benzoate 
• 70932-71-7 3-methoxy-2-[2-(methoxycarbonyl)phenyl]-3-oxopropanoic acid 
• 182241-46-9 2-((E)-1-Methoxycarbonyl-2-pyridin-4-yl-vinyl)-benzoic acid 

Relevant articles and documents

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

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.

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

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.