101498-88-8

Basic information

• Product Name: ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE
• Synonyms: 3-(4-TERT-BUTYL-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER;ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE;ETHYL (4-TERT-BUTYLBENZOYL)ACETATE
• CAS NO: 101498-88-8
• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32
• Mol File: 101498-88-8.mol

Chemical Properties

• Boiling Point: 335.1°C at 760 mmHg
• Flash Point: 143.8°C
• Appearance: /
• Density: 1.031g/cm³
• Vapor Pressure: 0.000122mmHg at 25°C
• Refractive Index: 1.496
• PKA: 10.15±0.25(Predicted)
• CAS DataBase Reference: ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE(101498-88-8)
• EPA Substance Registry System: ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE(101498-88-8)

Safety Data

• Hazardous Substances Data: 101498-88-8(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
ETHYL 3-(4-TERT-BUTYLPHENYL)-3-OXOPROPANOATE is used as an intermediate in the synthesis of various organic compounds for different applications. Its unique structure allows it to be a valuable building block in the creation of complex molecules, contributing to the development of new products in the chemical industry.

InChI:InChI=1/C15H20O3/c1-5-18-14(17)10-13(16)11-6-8-12(9-7-11)15(2,3)4/h6-9H,5,10H2,1-4H3

Upstream product

• 6148-64-7 ethyl potassium malonate 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 
• 141-97-9 ethyl acetoacetate 
• 1710-98-1 p-tert-butyl benzoyl chloride 
• 943-27-1 4'-t-butylacetophenone 
• 15226-74-1 dicobalt octacarbonyl 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 35779-04-5 1-tert-butyl-4-iodobenzene 
• 95-92-1 oxalic acid diethyl ester 
• 105-58-8 Diethyl carbonate 
• 141-78-6 ethyl acetate 
• 679843-87-9 1-(4-tert-butylphenyl)-3,3-bis(morpholino)prop-2-en-1-one 

Downstream Products

• 211045-68-0 6-tert-butyl-2-(p-tert-butylphenyl)-4H-1-benzothiopyran-4-one 
• 760959-54-4 1,3-di(p-tert-butylphenyl)pyrazolin-5-one 
• 760959-55-5 3-(p-tert-butylphenyl)-1-(p-methylphenyl)pyrazolin-5-one 
• 760959-61-3 3-(p-tert-butylphenyl)-5-chloro-4-formyl-1-(p-methylphenyl)pyrazole 
• 760959-59-9 1,3-di(4-tert-butylphenyl)-5-chloro-4-formylpyrazole 
• 98305-17-0 2-Amino-6-(4-tert-butyl-phenyl)-5-chloro-3H-pyrimidin-4-one 
• 98305-18-1 2-Amino-5-bromo-6-(4-tert-butyl-phenyl)-3H-pyrimidin-4-one 
• 98305-19-2 2-Amino-6-(4-tert-butyl-phenyl)-5-iodo-3H-pyrimidin-4-one 
• 379268-07-2 3-(4-(tert-butyl)phenyl)isoxazol-5(4H)-one 
• 1353036-81-3 3-(4-tert-butylphenyl)-4-(5-methylthienylmethylene)isoxazol-5(4H)-one 

Relevant articles and documents

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Construction of isoxazolone-fused phenanthridinesviaRh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones

A Rh(iii)-catalyzed cascade C-H activation/intramolecular cyclization of 3-aryl-5-isoxazolones with cyclic 2-diazo-1,3-diketones was described, leading to the formation of isoxazolo[2,3-f]phenanthridine skeletons. The protocol features the simultaneous one-pot formation of two new C-C/C-N bonds and one heterocycle in moderate-to-good yields with good functional group compatibility. It is amenable to large-scale synthesis and further transformation.

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Chikungunya virus is a re-emerging arbovirus transmitted to humans by Aedes mosquitoes, responsible for an acute febrile illness associated with painful and debilitating arthralgia, which can persist for several months or become chronic. Over the past few years, infection with this virus has spread worldwide with a previously unknown virulence. No specific antiviral treatments nor vaccines are currently available against this important pathogen. Starting from the structure of a class of selective anti-CHIKV agents previously identified in our research group, different modifications to this scaffold were rationally designed, and 69 novel small-molecule derivatives were synthesised and evaluated for their inhibition of Chikungunya virus replication in Vero cells. Further structure-activity relationships associated with this class of antiviral agents were elucidated for the original scaffolds, and novel antiviral compounds with EC50 values in the low micromolar range were identified. This work provides the foundation for further investigation of these new structures as antivirals against Chikungunya virus.

One pot direct synthesis of β-ketoesters via carbonylation of aryl halides using cobalt carbonyl

A direct method for the synthesis of β-ketoesters from aryl halides (iodide, bromide) has been described by using cobalt carbonyl as carbon monoxide source in microwave irradiation. Using this protocol, a wide variety of substituted aryl halides has been successfully converted to corresponding β-ketoesters.

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Azine derivatives

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