59726-40-8

Basic information

• Product Name: diethyl allylisobutylmalonate
• Synonyms: 2-ALLYL-2-ISOBUTYLMALONIC ACID DIETHYL ESTER;(2-Methylpropyl)-2-propenylpropanedioic acid diethyl ester;Einecs 261-886-4;DIETHYL ALLYLISOBUTYLMALONATE(WXG03429)
• CAS NO: 59726-40-8
• Molecular Formula: C₁₄H₂₄O₄
• Molecular Weight: 256.33796
• EINECS: 261-886-4
• Mol File: 59726-40-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 276.7 °C at 760 mmHg
• Flash Point: 120.6 °C
• Appearance: /
• Density: 0.977 g/cm³
• Vapor Pressure: 0.00472mmHg at 25°C
• Refractive Index: 1.447
• CAS DataBase Reference: diethyl allylisobutylmalonate(CAS DataBase Reference)
• NIST Chemistry Reference: diethyl allylisobutylmalonate(59726-40-8)
• EPA Substance Registry System: diethyl allylisobutylmalonate(59726-40-8)

Safety Data

• Hazardous Substances Data: 59726-40-8(Hazardous Substances Data)

Usage

General Description

Diethyl allylisobutylmalonate, also known as DAIBM, is a chemical compound that belongs to the class of malonates. It is a clear, colorless liquid with a slight fruity odor, and it is insoluble in water but soluble in organic solvents. DAIBM is primarily used in the synthesis of pharmaceuticals and as a building block in the production of fragrances. It is also used as a flavoring agent in foods and beverages. Additionally, DAIBM has potential applications in the field of organic synthesis due to its reactivity and versatility as a precursor in the creation of various organic compounds. However, it is important to handle and use this chemical with caution as it can be hazardous if not properly managed.

InChI:InChI=1/C14H24O4/c1-6-9-14(10-11(4)5,12(15)17-7-2)13(16)18-8-3/h6,11H,1,7-10H2,2-5H3

Upstream product

• 2049-80-1 (2-propenyl)propanedioic acid diethyl ester 
• 78-77-3 Isobutyl bromide 
• 513-38-2 Isobutyl iodide 
• 106-95-6 allyl bromide 
• 2163-48-6 diethyl propylmalonate 
• 105-53-3 diethyl malonate 

Downstream Products

• 77-26-9 butalbital 
• 468-65-5 Baytinal 

Relevant articles and documents

Further branching of valproate-related carboxylic acids reduces the teratogenic activity, but not the anticonvulsant effect

In the present study, compounds derived from the anticonvulsant drug valproic acid (VPA, 2-n-propylpentanoic acid) and analogues known to be teratogenic were synthesized with an additional carbon-branching in one of the side chains. The substances were tested for their ability to induce anticonvulsant activity and sedation in adult mice, and neural tube defects (exencephaly) in the offspring of pregnant animals (Han:NMRI mice). In all cases, the rates of exencephaly, embryolethality, and fetal weight retardation induced by the methyl-branched derivatives were very low when compared to those of the parent compounds. These novel compounds exhibited anticonvulsant activity which was not significantly different from that of VPA. Neurotoxicity was considerably lower for some compounds as compared to VPA. Anticonvulsant activity and neurotoxicity of branched short chain fatty acids are far less structure-dependent and not related to teratogenic potency. Within this series of compounds, (±)-4-methyl-2-n-propyl-4- pentenoic acid and (±)-2-isobutyl-4-pentenoic acid exhibited the most favorable profile in regard to high anticonvulsant effect, low sedation, and teratogenicity. Valproic acid analogues with additional methyl branching may be valuable antiepileptic agents with low teratogenic potential.