5398-08-3

Basic information

• Product Name: Diethyl isoamylmalonate
• Synonyms: Diethyl(1-methylbutyl)propanedioate;DIETHYL ISOPENTYLMALONATE;DIETHYL ISOAMYLMALONATE;Diethyl #niso-pentylmalonate;Diethylisopentylmalonate,98%;isopentylmalonic acid diethyl ester;(3-Methylbutyl)propanedioic acid diethyl ester;Diethyl 2-(3-methylbutyl)propanedioate
• CAS NO: 5398-08-3
• Molecular Formula: C₁₂H₂₂O₄
• Molecular Weight: 230.3
• EINECS: 226-424-8
• Product Categories: TheMalonateRamificationProducts
• Mol File: 5398-08-3.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 248-251°C
• Flash Point: 109.8 °C
• Appearance: /
• Density: 0,958 g/cm3
• Vapor Pressure: 0.0368mmHg at 25°C
• Refractive Index: 1.4255 (estimate)
• CAS DataBase Reference: Diethyl isoamylmalonate(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl isoamylmalonate(5398-08-3)
• EPA Substance Registry System: Diethyl isoamylmalonate(5398-08-3)

Safety Data

• Safety Statements: 23-24/25
• Hazardous Substances Data: 5398-08-3(Hazardous Substances Data)

Usage

General Description

Diethyl isoamylmalonate is a chemical compound used in the production of perfumes and flavors. It has a fruity and apple-like odor and is commonly found in apple, apricot, and peach flavored products. It is also used as a flavoring agent in the food industry and as a fragrance in personal care products. Diethyl isoamylmalonate is a colorless liquid with a slightly sweet taste and is known for its stability and compatibility with a wide range of other chemicals, making it a versatile and valuable ingredient in the manufacturing of various consumer products.

InChI:InChI=1/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3

Upstream product

• 996-82-7 sodium diethylmalonate 
• 541-28-6 isopentyl iodide 
• 64-17-5 ethanol 
• 616-87-5 isoamylmalonic acid 
• 996-82-7 sodium diethylmalonate 
• 107-82-4 i-pentyl bromide 
• 10236-10-9 ethyl isoamylacetate 
• 141-52-6 sodium ethanolate 
• 105-58-8 Diethyl carbonate 
• 22539-80-6 diethyl (3-methylbut-2-enyl)malonate 
• 861356-04-9 (3-methyl-but-3-enylidene)-malonic acid diethyl ester 
• 51615-30-6 diethyl 2-(3-methylbutylidene)malonate 
• 96-10-6 diethylaluminium chloride 
• 16783-07-6 diethyl 2-isopropylcyclopropane-1,1-dicarboxylate 

Downstream Products

• 121823-85-6 diethyl 2-isopentyl-2-methylmalonate 
• 67051-34-7 5-Isopentyl-5-vinyl-barbitursaeure 
• 40541-41-1 (methyl-3 butyl)-2 γ-butyrolactone 
• 78424-48-3 (5-methyl-hexylidene)-triphenyl-λ⁵-phosphane 
• 220170-20-7 5-(6-methyl-heptyl)-benzene-1,3-diol 
• 220170-18-3 1-(3,5,-dimethoxyphenyl)-6-methylheptane 
• 220170-19-4 1,3-Dimethoxy-5-((E)-6-methyl-hept-1-enyl)-benzene 
• 91708-62-2 (5-methylhexyl)triphenylphosphonium bromide 
• 627-98-5 5-methyl-1-hexanol 
• 35354-37-1 5-methylhexyl bromide 
• 77412-05-6 2-(3-methylbutyl)prop-2-en-1-ol 
• 10236-10-9 ethyl isoamylacetate 
• 110450-06-1 2-(2,4-Dichloro-phenoxymethyl)-2-(3-methyl-butyl)-malonic acid diethyl ester 
• 77-24-7 diethyl ethylisopentylmalonate 

Relevant articles and documents

Synthesis of methaprogerol analogs

Novel synthetic approaches towards analogs of methaprogerol, the efficient wound healing drug, were developed. Several hitherto unknown compounds obtained exhibited in vivo activity similar to methaprogerol. 2-(3-Dimethylaminopropyl)- 5-methylhex-4-enoic acid enhanced the efficacy of the treatment of diseases of various etiologies and different organ injuries by transplantation of mesenchymal stem cells (MSC) and MSC-derived cardiomyoblasts.

A novel synthesis of the north west portion of Lasonolide A - An anticancer macrolide using Claisen rearrangement

A simplified analogue of Lasonolide A (C23-C35 side chain) was synthesized using Fujisawa's stereoselective variant of the Ireland Claisen ester rearrangement.

Synthesis of derivatives of prenylacetic acids by reactions of alkyl malonate, cyanoacetate, and acetoacetate with alkylating reagents in ionic liquids

A method for the synthesis of carboxylic acid derivatives containing one or two - CH2CHn(Me)CHn+1CH2 - fragments (n = 0, 1) was developed. The method is based on the alkylation of (di)alkyl malonates, cyanoacetates, and acetoacetates with acyclic prenyl halides in ionic liquids, 1-butyl-3-methylimidazolium hexafluorophosphate and tetrafluoroborate. For the ambident ethyl acetoacetate anion, the reactions with prenyl halides devoid of a double bond in the allylic position relative to the halogen atom carried out in the ionic liquids give mixtures of C- and O-alkylation products, while in the case of allylic prenyl halides, only C-alkylation products are formed. The reactions of ethyl 2-geranylmalonate and 2-geranylacetoacetate with bromocyclohexane and 1-chloro-3-dimethylaminopropane in ionic liquids provided derivatives of pharmacologically active geranylacetic acids. The product yields are higher than those in molecular organic solvents. The ionic liquids were recovered and reused in the alkylation.