5440-53-9

Basic information

• Product Name: diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate
• Synonyms: diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate
• CAS NO: 5440-53-9
• Molecular Formula: C₁₇H₂₃NO₅
• Molecular Weight: 321.37
• Mol File: 5440-53-9.mol

Chemical Properties

• Boiling Point: 466.4°Cat760mmHg
• Flash Point: 235.9°C
• Appearance: /
• Density: 1.133g/cm³
• Vapor Pressure: 7.08E-09mmHg at 25°C
• Refractive Index: 1.51
• CAS DataBase Reference: diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate(CAS DataBase Reference)
• NIST Chemistry Reference: diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate(5440-53-9)
• EPA Substance Registry System: diethyl 2-acetamido-2-[(2-methylphenyl)methyl]propanedioate(5440-53-9)

Safety Data

• Hazardous Substances Data: 5440-53-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C17H23NO5/c1-5-22-15(20)17(18-13(4)19,16(21)23-6-2)11-14-10-8-7-9-12(14)3/h7-10H,5-6,11H2,1-4H3,(H,18,19)

Upstream product

• 89-92-9 2-methylbenzyl bromide 
• 1068-90-2 2-acetylaminomalonic acid diethyl ester 
• 13433-00-6 diethyl aminomalonate hydrochloride 

Downstream Products

• 37447-32-8 2-Acetylamino-2-(2-methyl-benzyl)-malonic acid monoethyl ester 
• 37439-96-6 2-Acetylamino-3-o-tolyl-propionic acid ethyl ester 
• 856571-23-8 2-{2-[(1H-indole-2-carbonyl)amino]benzoylamino}-3-o-tolylpropionic acid ethyl ester 
• 856571-04-5 2-(2-aminobenzoylamino)-3-o-tolylpropionic acid ethyl ester 
• 5463-90-1 (+/-)-2-Acetamino-3-o-tolyl-propionsaeure 
• 22888-51-3 2-amino-3-(2-methylphenyl)propanoic acid 

Relevant articles and documents

Organocatalytic Enantioselective Addition of α-Aminoalkyl Radicals to Isoquinolines

With a dual organocatalytic system involving a chiral phosphoric acid and a dicyanopyrazine-derived chromophore (DPZ) photosensitizer and under the irradiation with visible light, an enantioselective Minisci-type addition of α-amino acid-derived redox-active esters (RAEs) to isoquinolines has been developed. A variety of prochiral α-aminoalkyl radicals generated from RAEs were successfully introduced on isoquinolines, providing a range of valuable α-isoquinoline-substituted chiral secondary amines in high yields with good to excellent enantioselectivities.

Anthranilic acid based CCK1 receptor antagonists: Preliminary investigation on their second "touch point"

In this phase of structure-affinity relationship study of VL-0395, a new anthranilic acid based CCK1 selective antagonist, we propose a series of unnatural aminoacidic derivatives. The result of this work is the identification of a new CCK ligand, which possesses an affinity (IC50 = 35 nm) one order of magnitude greater than the lead and, as a general rule, it points out how the hypothesized receptorial pocket which accommodates the Phe residue allows much more structural modification than that interacting with the N-terminal group. Hence, the modification of the C-terminal pharmacophoric group of our lead VL-0395 can not only enhance the affinity of anthranilic acid derivatives but can modulate the selectivity for one CCK receptor subtype or afford mixed antagonists.

Palladium-catalyzed benzylation of active methine compounds without additional base: Remarkable effect of 1,5-cyclooctadiene

(Chemical Equation Presented) The palladium complex prepared from DPPF and Cp(η3-C3H5)Pd is an effective catalyst for the alkylation of active methine compounds with benzylic carbonates under neutral conditions. The additi

Palladium-catalyzed nucleophilic benzylic substitutions of benzylic esters

A palladium complex generated in situ from [Pd(η3-C3H5)(cod)]BF4 and DPPF is a good catalyst for benzylic alkylation of benzyl methyl carbonate with the carbanion of dimethyl malonates. The catalytic reaction is applicable to a wide range of the benzylations of benzylic esters with malonates. The catalytic activity was heavily affected by the bite angle of the bidentate phosphine ligand on palladium. DPEphos ligand is superior to DPPF in the case of palladium-catalyzed benzylic amination of benzylic esters. Copyright