39520-24-6

Basic information

• Product Name: Dimethyl isobutylmalonate
• Synonyms: 2-Isobutylmalonic acid dimethyl ester;Isobutylmalonic acid dimethyl ester;Mono Isobutylmalonic acid dimethyl ester;Dimethyl isobutylmalonate,98%;Methyl isobutyl Malonate;DiMethyl-2-isobutylMalonate;(2-methylpropyl)-propanedioicacidimethylester;ISOBUTYL DIMETHYLMALONATE
• CAS NO: 39520-24-6
• Molecular Formula: C₉H₁₆O₄
• Molecular Weight: 188.22
• EINECS: 254-490-8
• Product Categories: Pharmaceutical Intermediates;TheMalonateRamificationProducts
• Mol File: 39520-24-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 213 °C(lit.)
• Flash Point: 208 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.012 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.231mmHg at 25°C
• Refractive Index: n20/D 1.424(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 12.96±0.46(Predicted)
• CAS DataBase Reference: Dimethyl isobutylmalonate(CAS DataBase Reference)
• NIST Chemistry Reference: Dimethyl isobutylmalonate(39520-24-6)
• EPA Substance Registry System: Dimethyl isobutylmalonate(39520-24-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 39520-24-6(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to light yellow liquid

InChI:InChI=1/C9H16O4/c1-6(2)5-7(8(10)12-3)9(11)13-4/h6-7H,5H2,1-4H3

Upstream product

• 78-77-3 Isobutyl bromide 
• 108-59-8 malonic acid dimethyl ester 
• 67-56-1 methanol 
• 36825-11-3 2-isobutylidene malonic acid dimethyl ester 
• 513-38-2 Isobutyl iodide 
• 10203-58-4 (2-methylpropyl)-propanedioic acid, diethyl ester 
• 77-78-1 dimethyl sulfate 
• 4361-06-2 isobutylmalonic Acid 

Downstream Products

• 94006-08-3 (1-ethoxycarbonylmethyl-6,7-dimethoxy-3,4-dihydro-1H-[2]isoquinolylmethyl)-isobutyl-malonic acid dimethyl ester 
• 101889-11-6 N-(3,4-dimethoxy-phenethyl)-2-isobutyl-malonamic acid methyl ester 
• 82010-31-9 (S)-(1-hydroxymethyl-3-methylbutyl)carbamic acid tert-butyl ester 
• 4361-06-2 isobutylmalonic Acid 
• 103366-90-1 (Isobutylimino)malonsaeure-dimethylester 

Relevant articles and documents

Palladium-Catalyzed Atom-Transfer Radical Cyclization at Remote Unactivated C(sp3)?H Sites: Hydrogen-Atom Transfer of Hybrid Vinyl Palladium Radical Intermediates

A novel mild, visible-light-induced palladium-catalyzed hydrogen atom translocation/atom-transfer radical cyclization (HAT/ATRC) cascade has been developed. This protocol involves a 1,5-HAT process of previously unknown hybrid vinyl palladium radical intermediates, thus leading to iodomethyl carbo- and heterocyclic structures.

HETEROCYCLIC KINASE INHIBITORS

The present disclosure is generally directed to compounds which can inhibit AAK1 (adaptor associated kinase 1), compositions comprising such compounds, and methods for inhibiting AAK1.

Electrochemical Cyclodimerization of Alkylidenemalonates

Electrolysis of dimethyl alkylidenemalonates RCH=C(COOMe)2 (R=n-Alk, Ph) in an undivided cell in MeOH in the presence of alkali metal halide as mediator, leads to the formation of cyclic dimers, i.e., 3,4-disubstituted 1,1,2,2-cyclobutanetetracarboxylates.The reaction proceeds via the reductive coupling of two substrate molecules at cathode and the cyclization of a hydrodimer dianion by its interaction with an active form of a mediator, an anode-generated halogen.