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
• Article Data: 11

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

General Description

Ethyl 3-(4-tert-butylphenyl)-3-oxopropanoate is a chemical compound belonging to the class called phenylpropanoic acids. Derived from phenylpropanoic acid, it comprises an ethyl group and a tert-butylphenyl group. Its chemical structure includes a phenyl ring, which is a common feature for many organic compounds. The compound's "oxo" term signifies the existence of a carbonyl functional group in its structure, implying that it contains a carbon molecule double-bonded to an oxygen molecule. Ethyl 3-(4-tert-butylphenyl)-3-oxopropanoate is generally used in the production of various products, though it is typically seen within the realm of organic synthesis.

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 
• 679843-87-9 1-(4-tert-butylphenyl)-3,3-bis(morpholino)prop-2-en-1-one 
• 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 

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

Amide/Ester Cross-Coupling via C-N/C-H Bond Cleavage: Synthesis of β-Ketoesters

Activated primary, secondary, and tertiary amides were coupled with enolizable esters in the presence of LiHMDS to obtain good yields of β-ketoesters at room temperature. Notably, this protocol provides an efficient, mild, and high chemoselectivity method

Electrochemical Oxidative Cyclization: Synthesis of Polysubstituted Pyrrole from Enamines

A conceptually novel method for the preparation of pyrrole is described by electrochemical-oxidation-induced intermolecular annulation via enamines. In a simple undivided cell, based on a sodium acetate-facilitated, polysubstituted pyrrole derivations has been facilely synthesized under external oxidant-free condition. This electrosynthetic approach providing an environmentally benign protocol for C?C bond cross-coupling and oxidative annulation, which features unparalleled broad scope of substrates and practicality.

NMDA RECEPTOR MODULATORS AND USES THEREOF

Disclosed herein, in part, are heteroaromatic compounds and methods of use in treating neuropsychiatric disorders, e.g., schizophrenia and major depressive disorder. Pharmaceutical compositions and methods of making heteroaromatic compounds are provided. The compounds are contemplated to modulate the NMDA receptor.