65860-53-9

Basic information

• Product Name: 3-Isopropylbut-3-enoic acid
• Synonyms: 3-Isopropylbut-3-enoic acid
• CAS NO: 65860-53-9
• Molecular Formula: C7H12O2
• Molecular Weight: 128.169
• Mol File: 65860-53-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 213.8°Cat760mmHg
• Flash Point: 111.2°C
• Appearance: /
• Density: 0.956g/cm³
• Vapor Pressure: 0.0627mmHg at 25°C
• Refractive Index: 1.443
• CAS DataBase Reference: 3-Isopropylbut-3-enoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Isopropylbut-3-enoic acid(65860-53-9)
• EPA Substance Registry System: 3-Isopropylbut-3-enoic acid(65860-53-9)

Safety Data

• Hazardous Substances Data: 65860-53-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H12O2/c1-5(2)6(3)4-7(8)9/h5H,3-4H2,1-2H3,(H,8,9)

Upstream product

• 1822-71-5 n-pentylsodium 
• 563-78-0 2,3-Dimethyl-1-butene 
• 109-66-0 pentane 
• 26903-66-2 2-isopropylallyl alcohol 
• 201230-82-2 carbon monoxide 
• 157104-38-6 3-iodo-3-butenoic acid 
• 77047-87-1 isopropyl zinc bromide 
• 124-38-9 carbon dioxide 

Relevant articles and documents

A Light/Ketone/Copper System for Carboxylation of Allylic C-H Bonds of Alkenes with CO2

A photo-induced carboxylation reaction of allylic C-H bonds of simple alkenes with CO2 is prompted by means of a ketone and a copper complex. The unique carboxylation reaction proceeds through a sequence of an endergonic photoreaction of ketones with alkenes forming homoallyl alcohol intermediates and a thermal copper-catalyzed allyl transfer reaction from the homoallyl alcohols to CO2 through C-C bond cleavage. An allylic C-H bond of simple alkenes is carboxylated with CO2 in the presence of a substoichiometric amount of a ketone and a catalytic amount of a copper complex under UV irradiation (see scheme).

Activation of C-O and C-N Bonds in Allylic Alcohols and Amines by Palladium Complexes Promoted by CO2. Synthetic Applications to Allylation of Nucleophiles, Carbonylation, and Allylamine Disproportionation

The direct activation of the C-O bonds in allylic alcohols catalyzed by palladium complexes has been accelerated by carrying out the reactions under CO2. On reaction with diethylamine, allyl alcohol can be converted into N,N-diethylallylamine in the presence of palladium complexes at room temperature under normal pressure of carbon dioxide. Allylation of various carbon nucleophiles such as β-keto esters and β-diketones can be achieved by using allylic alcohols directly in the presence of palladium complexes and CO2. Direct carbonylation of allylic alcohols into unsaturated carboxylic acids can be catalyzed by palladium complexes under the pressure of CO and CO2. Disproportionation of diallylamine into triallylamine and allylamine is also catalyzed by palladium complexes in the presence of CO2. On the basis of studies on the behavior of η3-allylpalladium hydrogencarbonate complexes with the nucleophiles, mechanisms are proposed to account for the palladium-catalyzed allylation processes influenced by CO2.