66073-33-4

Basic information

• Product Name: ETHYL 4-(2-NITROPHENYL)ACETOACETATE
• Synonyms: ETHYL 4-(2-NITROPHENYL)ACETOACETATE;Ethyl 4-(2-nitrophenyl)-3-oxobutanoate;-3-oxobutanoate;Ethyl 4-(2-nitrophenyl)
• CAS NO: 66073-33-4
• Molecular Formula: C₁₂H₁₃NO₅
• Molecular Weight: 251.23532
• Mol File: 66073-33-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 357.904°C at 760 mmHg
• Flash Point: 150.159°C
• Appearance: /
• Density: 1.252g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.537
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: ETHYL 4-(2-NITROPHENYL)ACETOACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-(2-NITROPHENYL)ACETOACETATE(66073-33-4)
• EPA Substance Registry System: ETHYL 4-(2-NITROPHENYL)ACETOACETATE(66073-33-4)

Safety Data

• Hazardous Substances Data: 66073-33-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 26, p. 71, 1989 DOI: 10.1002/jhet.5570260114

InChI:InChI=1/C12H13NO5/c1-2-18-12(15)8-10(14)7-9-5-3-4-6-11(9)13(16)17/h3-6H,2,7-8H2,1H3

Upstream product

• 64-17-5 ethanol 
• 1069111-98-3 5-[1-hydroxy-2-(2-nitrophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 
• 3740-52-1 2-(2-nitrophenyl)acetic acid 
• 22751-23-1 (2-nitrophenyl)acetyl chloride 
• 6148-64-7 ethyl potassium malonate 
• 119209-55-1 propanedioic acid monoethyl ester dilithium salt 
• 61417-33-2 ethyl 2-acetyl-3-oxo-4-(2-nitrophenyl)butanoate 

Downstream Products

• 101569-19-1 4-(2-nitro-phenyl)-acetoacetic acid benzyl ester 
• 33588-64-6 ethyl 2-(1H-indol-2-yl)acetate 
• 64132-03-2 ethyl 2-(2,3-dihydro-1H-indole-2-yl)acetate 

Relevant articles and documents

Exploring of indole derivatives for ESIPT emission: A new ESIPT-based fluorescence skeleton and TD-DFT calculations

Appropriate synthesis methods gave six different indole derivatives substituted at the C-2 or C-3 position. ESIPT emission capacities of these derivatives were investigated. It was concluded that the indole derivative containing the 1,2-dicarbonyl group at the C-2 position has ESIPT emission. Although adding water to the DMSO solution of the ESIPT-based molecule (9:1) resulted in ESIPT quenching, steady-state measurements in MeOH did not occur ESIPT quenching. TD-DFT calculation for uncovering the ESIPT mechanism emerged that the ESIPT mechanism occurred as a barrierless process. The X-ray analysis and DFT conformational analysis revealed that NH and CO groups involving proton transfer mechanisms are in the cis position. A mono-exponential decay was observed in DMSO and MeOH solutions, in which lifetimes were measured as 6.1 and 5.5 ns, respectively. pH studies revealed that acidic and basic solutions of molecule 7 did not influence ESIPT emission.

Diastereodivergence and appendage diversity in the multicomponent synthesis of aryl-pyrrolo-tetrahydrocarbazoles

A one-pot approach using a subsequent Cu(II)/Cu(I) catalysis and a highly diastereodivergent three-component reaction allow an easy access to various aryl-pyrrolo-tetrahydrocarbazoles with the control of up to four variable fragments and two different diastereoselectivities.

PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS

Pyrazolo[3,4-c]quinolines, pyrazolo[4,5-c]naphthyridines, and analogs thereof, eg., 6,7,8,9-tetrahydro pyrazolo[3,4-c]quinolines, and, pharmaceutical compositions containing the compounds, intermediates, methods of making these compounds, and methods of use of these compounds as immunomodulators, for inhibiting cytokine biosynthesis in animals and in the therapeutic or prophylactic treatment of diseases by inhibiting cytokine biosynthesis are disclosed.