21860-07-1

Usage

Uses

Used in Organic Synthesis:
3-Acetyl-benzoic acid methyl ester is used as an intermediate in the synthesis of various organic compounds. Its reactivity and functional groups make it a valuable building block for creating more complex molecules in the field of organic chemistry.
Used in Pharmaceutical Industry:
3-Acetyl-benzoic acid methyl ester is used as a starting material for the synthesis of pharmaceutical compounds. Its unique structure allows for the development of new drugs with potential therapeutic applications.
Used in Fragrance Industry:
Due to its strong aroma, 3-Acetyl-benzoic acid methyl ester is used as a fragrance ingredient in the production of perfumes and other scented products. Its pleasant scent contributes to the overall olfactory profile of these products.
Used in Research and Development:
3-Acetyl-benzoic acid methyl ester is used as a research compound in academic and industrial laboratories. Its properties and reactivity are studied to gain insights into chemical reactions and to develop new synthetic methods and applications.

Upstream product

• 67-56-1 methanol 
• 586-42-5 3-acetylbenzoic acid 
• 41908-11-6 3-acetylbenzaldehyde 
• 618-89-3 methyl 3-bromobenzoate 
• 13411-48-8 1-(trimethylsilyl)ethanone 
• 2142-63-4 1-(3-Bromophenyl)ethanone 
• 4518-10-9 Methyl 3-aminobenzoate 
• 431-03-8 dimethylglyoxal 
• 14452-30-3 3'-iodoacetophenone 
• 124-38-9 carbon dioxide 
• 6018-41-3 methyl coumalate 
• 4652-27-1 4-methoxy-3-buten-2-one 
• 6213-94-1 trimethylsiloxyethene 
• 618-91-7 methyl 3-iodo-benzoate 

Downstream Products

• 27475-19-0 α-bromo-3-acetylbenzoic acid methyl ester 
• 87808-11-5 methyl 3-(1-hydroxyethyl)benzenecarboxylate 
• 1415695-56-5 C₃₀H₂₄N₂O₂S 
• 1415695-57-6 C₃₄H₂₇N₅O₄S 
• 50603-99-1 methyl 3-(1-bromoethyl)benzoate 
• 856905-14-1 3-(4-pyrimidinyl)benzoic acid 
• 168619-01-0 3-pyrimidin-4-yl-benzoic acid methyl ester 

Relevant academic research and scientific papers

Design, synthesis, biological evaluation and molecular modeling of novel 2-amino-4-(1-phenylethoxy) pyridine derivatives as potential ROS1 inhibitors

With the aim of discovering potential and selective inhibitors targeting ROS1 kinase, we rationally designed, synthesized and evaluated two series of novel 2-amino-pyridine derivatives with 1-phenylethoxy at C-3 and C-4 position. The enzymic assays results indicated that six of the new compounds 13b-13d and 14a-14c showed remarkably higher inhibitory activities against ROS1 kinase. The most promising compounds, 13d and 14c displayed the most desired ROS1 inhibitory activity with IC50 values of 440 nM and 370 nM respectively. Furthermore, 13d and 14c displayed ROS1 inhibitory selectivity of about 7-fold and 12-fold, relative to that of ALK sharing about 49% amino acid sequence homology in the kinase domains. They also showed good anti-proliferative effects against ROS1-addicted HCC78 cell lines with the IC50 values of 8.1 μM and 65.3 μM, respectively. Moreover, molecular docking and molecular dynamics simulation studies disclosed that compound 14c and 13d shared similar binding poses with Crizotinib except the selective binding site of ROS1. It also gave a probable molecular explanation for their activity and selectivity, which the methoxyl group in benzene ring was the crucial to the selectivity to ROS1 versus ALK.

Olefin Hydroarylation Catalyzed by a Single-Component Cobalt(-I) Complex

A single-component Co(-I) catalyst, [(PPh3)3Co(N2)]Li(THF)3, has been developed for olefin hydroarylations with (N-aryl)aryl imine substrates. More than 40 examples were examined under mild reaction conditions to afford the desired alkyl-arene product in good to excellent yields. Catalysis occurs in a regioselective manner to afford exclusively branched products with styrene-derived substrates or linear products for aliphatic olefins. Electron-withdrawing functional groups (e.g., -F, -CF3, and -CO2Me) were tolerated under the reaction conditions.

Photoinduced Acetylation of Anilines under Aqueous and Catalyst-Free Conditions

A green and efficient visible-light induced functionalization of anilines under mild conditions has been reported. Utilizing nontoxic, cost-effective, and water-soluble diacetyl as photosensitizer and acetylating reagent, and water as the solvent, a variety of anilines were converted into the corresponding aryl ketones, iodides, and bromides. With advantages of environmentally friendly conditions, simple operation, broad substrate scope, and functional group tolerance, this reaction represents a valuable method in organic synthesis.

Practical synthesis of Vistusertib (AZD2014), an ATP competitive mTOR inhibitor

Vistusertib (AZD2014) is a potent, selective inhibitor of mTOR kinase. Prompted by its fascinating biological activity, an efficient and practical synthesis of Vistusertib has been developed from 3-acetylbenzoic acid through six steps in 48% overall yield

Deuterated Vistusertib compound and use thereof

The invention discloses a compound shown in a formula (I) (please see the specification for the formula I) or an optical isomer of the compound, a pharmaceutically acceptable salt, an aquo-complex ora solvate, wherein, R1-R29 is respectively and independe

PROCESS OF SYNTHESIZING SUBSTITUTED PYRIDINE AND PYRIMIDINE COMPOUND

Provided is a process of synthesizing a substituted pyridine and pyrimidine compound. Particularly, provided is a method for preparing a compound of formula III via a compound of formula II′, wherein the definition of each of groups is as described as the

Tandem one-pot CO2 reduction by PMHS and silyloxycarbonylation of aryl/vinyl halides to access carboxylic acids

The present study discloses the synthesis of aryl/vinyl carboxylic acids from Csp2-bound halides (Cl, Br, I) in a carbonylative path by using silyl formate (from CO2 and hydrosilane) as an instant CO-surrogate. Hydrosilane provides hydride for reduction and its oxidation product silanol serves as a coupling partner. Mono-, di-, and tri-carboxylic acids were obtained from the corresponding aryl/vinyl halides.

Oxalic acid as the: In situ carbon monoxide generator in palladium-catalyzed hydroxycarbonylation of arylhalides

An efficient palladium-catalyzed hydroxycarbonylation reaction of arylhalides using oxalic acid as a CO source has been developed. The reaction features high safety, low catalyst loading, and a broad substrate scope, and provides a safe and tractable approach to access a variety of aromatic carboxylic acid compounds. Mechanistic studies revealed the decomposition pattern of oxalic acid.

3-(1-(aminopyridine oxy)ethyl)benzamide derivative, and synthesis method and application thereof

The invention discloses a 3-(1-(aminopyridine oxy) ethyl) benzamide derivative, and a synthesis method and application thereof. The 3-(1-(aminopyridine oxy)ethyl)benzamide derivative or pharmaceutically acceptable salts, hydrates, solvates, polymorphic su