80120-36-1

Basic information

• Product Name: ETHYL 4-TERT-BUTYLBENZOYLFORMATE
• Synonyms: ETHYL 2-[4-(TERT-BUTYL)PHENYL]-2-OXOACETATE;ETHYL 2-(4-TERT-BUTYLPHENYL)GLYOXYLATE;ETHYL 4-TERT-BUTYLBENZOYLFORMATE;ETHYL (4-TERT-BUTYLPHENYL)(OXO)ACETATE;Ethyl 2-[4-(tert-butyl)phenyl]-2-oxoacetate, tech;(4-TERT-BUTYLPHENYL)GLYOXYLIC ACID ETHYL ESTER
• CAS NO: 80120-36-1
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• Mol File: 80120-36-1.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 104-110/0.1mm
• Flash Point: 139.4 °C
• Appearance: /
• Density: 1.045 g/cm³
• Vapor Pressure: 0.000281mmHg at 25°C
• Refractive Index: 1.498
• CAS DataBase Reference: ETHYL 4-TERT-BUTYLBENZOYLFORMATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-TERT-BUTYLBENZOYLFORMATE(80120-36-1)
• EPA Substance Registry System: ETHYL 4-TERT-BUTYLBENZOYLFORMATE(80120-36-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 80120-36-1(Hazardous Substances Data)

Usage

General Description

Ethyl 4-tert-butylbenzoylformate is a chemical compound that belongs to the class of organic compounds known as benzoyl derivatives. It is a non-polar, aromatic compound commonly used in organic synthesis. The chemical formula of ethyl 4-tert-butylbenzoylformate is C14H18O3, and it features a benzene ring substituted with both a tert-butyl group and a benzoylformate group. Nanomaterials made from it might have potential applications in the field of optics, electronics, and energy storage. The compound's overview also includes a mention of its diverse use in several industries and also as an intermediate agent in chemical synthesis.

InChI:InChI=1/C14H18O3/c1-5-17-13(16)12(15)10-6-8-11(9-7-10)14(2,3)4/h6-9H,5H2,1-4H3

Upstream product

• 253185-03-4 tert-butylbenzene 
• 4755-77-5 Ethyl oxalyl chloride 
• 32857-63-9 4-t-butylphenylacetic acid 
• 64-17-5 ethanol 
• 1085526-67-5 (4-tert-butylphenyl)ethynyl bromide 
• 1044833-30-8 1-(4-(tert-butyl)phenyl)-2-nitroethan-1-one 
• 63488-10-8 4-tert-butylmagnesium bromide 
• 95-92-1 oxalic acid diethyl ester 
• 3972-65-4 1-bromo-4-tert-butylbenzene 
• 109-72-8 n-butyllithium 

Downstream Products

• 1263290-47-6 (R)-ethyl 2-(4-tert-butylphenyl)-2-hydroxy-3-nitropropanoate 
• 1359764-21-8 N-(1-(4-(tert-butyl)phenyl)-2-hydroxyethyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide 
• 1359764-25-2 C₁₉H₂₇N₃O₂ 
• 1359764-31-0 N-(1-(4-(tert-butyl)phenyl)-2-chloroethyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide 
• 1359764-40-1 C₁₉H₂₆ClN₃O 
• 1359764-48-9 4-(4-(tert-butyl)phenyl)-2-(4-chloro-3-ethyl-1-methyl-1H-pyrazol-5-yl)-4,5-dihydrooxazole 
• 1359764-53-6 C₁₉H₂₅N₃O 
• 1359764-16-1 ethyl 2-(4-(tert-butyl)phenyl)-2-(hydroxyimino)acetate 
• 1391837-86-7 ethyl 2-(4-tert-butylphenyl)-4-oxo-3,4-dihydro-2H-pyran-2-carboxylate 

Relevant articles and documents

Electrochemical two-electron oxygen reduction reaction (ORR) induced aerobic oxidation of α-diazoesters

Electrochemical oxygen reduction reaction (ORR) is a powerful tool for introducing oxygen functional groups in synthetic chemistry. However, compared with the well-developed one-electron oxygen reduction process, the applications of two-electron oxygen re

Electrochemistry-Enabled Ir-Catalyzed Vinylic C-H Functionalization

Synergistic use of electrochemistry and organometallic catalysis has emerged as a powerful tool for site-selective C-H functionalization, yet this type of transformation has thus far mainly been limited to arene C-H functionalization. Herein, we report the development of electrochemical vinylic C-H functionalization of acrylic acids with alkynes. In this reaction an iridium catalyst enables C-H/O-H functionalization for alkyne annulation, affording α-pyrones with good to excellent yields in an undivided cell. Preliminary mechanistic studies show that anodic oxidation is crucial for releasing the product and regeneration of an Ir(III) intermediate from a diene-Ir(I) complex, which is a coordinatively saturated, 18-electron complex. Importantly, common chemical oxidants such as Ag(I) or Cu(II) did not give significant amounts of the desired product in the absence of electrical current under otherwise identical conditions.

Switchable C-H Functionalization of N-Tosyl Acrylamides with Acryloylsilanes

A controllable Rh-catalyzed protocol to access alkylation and alkenylation-annulation of N-tosyl acrylamide with acryloyl silane is reported. In contrast to the directing group or catalyst-dependent divergent sp2 C-H alkylation/alkenylation, the intrinsic property of acryloylsilane allows the switchable reaction manifold, thereby affording either alkylation or annulation products with slight modification of the reaction conditions.