122357-96-4

Basic information

• Product Name: Methyl 4-(diethylcarbaMoyl)benzoate
• Synonyms: Methyl 4-(diethylcarbaMoyl)benzoate
• CAS NO: 122357-96-4
• Molecular Formula: C₁₃H₁₇NO₃
• Molecular Weight: 235.27898
• Mol File: 122357-96-4.mol
• Article Data: 7

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Methyl 4-(diethylcarbaMoyl)benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-(diethylcarbaMoyl)benzoate(122357-96-4)
• EPA Substance Registry System: Methyl 4-(diethylcarbaMoyl)benzoate(122357-96-4)

Safety Data

• Hazardous Substances Data: 122357-96-4(Hazardous Substances Data)

Usage

General Description

Methyl 4-(diethylcarbamoyl)benzoate is a chemical compound used in pharmaceutical research and drug development. It belongs to the class of esters and contains a carbamate group, making it a potential candidate for the synthesis of pharmacologically active molecules. Methyl 4-(diethylcarbaMoyl)benzoate has the potential for use in the development of new drugs, particularly in the field of central nervous system disorders and neurodegenerative diseases. Its chemical structure and properties make it valuable for the design and exploration of potential drug candidates targeting specific biological pathways and molecular targets. Further research and development of this compound may lead to the discovery of novel pharmaceutical agents with therapeutic potential.

Upstream product

• 201230-82-2 carbon monoxide 
• 77726-96-6 methyl 4-(3,3-diethyltriaz-1-en-1-yl)benzoate 
• 1679-64-7 Monomethyl terephthalate 
• 7377-26-6 4-Methoxycarbonylbenzoyl chloride 
• 109-89-7 diethylamine 
• 79-37-8 oxalyl dichloride 

Downstream Products

• 1571-08-0 methyl 4-formylbenzoate 
• 1620210-47-0 methyl 4-(diethylcarbamoyl)-3-(1-phenylethyl)benzoate 
• 71888-24-9 4-(diethylaminocarbonyl)benzoic acid 
• 68453-55-4 methyl 4-((diethylamino)methyl)benzoate 
• 122382-43-8 4-Diethylcarbamoyl-isophthalic acid dimethyl ester 
• 122357-99-7 4-Diethylcarbamoyl-phthalic acid dimethyl ester 

Relevant articles and documents

Discovery of Novel Thiophene-arylamide Derivatives as DprE1 Inhibitors with Potent Antimycobacterial Activities

In this study, we report the design and synthesis of a series of novel thiophene-arylamide compounds derived from the noncovalent decaprenylphosphoryl-β-d-ribose 2′-epimerase (DprE1) inhibitor TCA1 through a structure-based scaffold hopping strategy. Systematic optimization of the two side chains flanking the thiophene core led to new lead compounds bearing a thiophene-arylamide scaffold with potent antimycobacterial activity and low cytotoxicity. Compounds 23j, 24f, 25a, and 25b exhibited potent in vitro activity against both drug-susceptible (minimum inhibitory concentration (MIC) = 0.02-0.12 μg/mL) and drug-resistant (MIC = 0.031-0.24 μg/mL) tuberculosis strains while retaining potent DprE1 inhibition (half maximal inhibitory concentration (IC50) = 0.2-0.9 μg/mL) and good intracellular antimycobacterial activity. In addition, these compounds showed good hepatocyte stability and low inhibition of the human ether-à-go-go related gene (hERG) channel. The representative compound 25a with acceptable pharmacokinetic property demonstrated significant bactericidal activity in an acute mouse model of tuberculosis. Moreover, the molecular docking study of template compound 23j provides new insight into the discovery of novel antitubercular agents targeting DprE1.

N2 extrusion and co insertion: A novel palladium-catalyzed carbonylative transformation of aryltriazenes

A novel procedure for the replacement of N2 with CO of aryltriazenes has been developed. Aryltriazenes were converted to the corresponding arylamides catalyzed by 1 mol % of PdCl2/P(o-Tol)3 under CO pressure. In this process, aryldiazonium salts were generated in the presence of 40 mol % of MeSO3H. Nitrogen was released from the substrates and CO formally inserted. Aryl bromides, iodides, alkynes, and free hydroxyl groups can be tolerated in this transformation.

A practical in situ generation of the schwartz reagent. reduction of tertiary amides to aldehydes and hydrozirconation

A new, highly efficient in situ protocol (Cp2ZrCl2/LiAlH(OBu-t)3) is described for the generation of the Schwartz reagent which provides a convenient method for the amide to aldehyde reduction and the regioselective hydrozirconation-iodination of alkynes and alkenes. Highlighted are chemoselective reductions of benzamides derived by directed ortho metalation (DoM) chemistry, allowing the synthesis of valuable 1,2,3-substituted benzaldehydes. The single-step, three-component process proceeds in a very short reaction time, shows excellent functional group compatibility, and uses inexpensive and long-storage stable reducing reagents.