2163-48-6

Basic information

• Product Name: Diethyl propylmalonate
• Synonyms: 2-propyl-malonicaciddiethylester;2-propyl-propanedioicaciddiethylester;Diethyl 2-propylmalonate;Malonic acid, propyl-, diethyl ester;Propanedioic acid, propyl-, diethyl ester;DIETHYL PROPYLMALONATE;DIETHYL N-PROPYLMALONATE;ETHYL PROPYLMALONATE
• CAS NO: 2163-48-6
• Molecular Formula: C₁₀H₁₈O₄
• Molecular Weight: 202.25
• EINECS: 218-492-2
• Product Categories: Pharmaceutical Intermediates;TheMalonateRamificationProducts;Miscellaneous Reagents;C10 to C11;Carbonyl Compounds;Esters;Aliphatics
• Mol File: 2163-48-6.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 221-222 °C(lit.)
• Flash Point: 197 °F
• Appearance: Colourless oil
• Density: 0.987 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.107mmHg at 25°C
• Refractive Index: n20/D 1.418(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Soluble in Dichloromethane, Ethanol and Ethyl Acetate.
• PKA: 13.32±0.46(Predicted)
• BRN: 510157
• CAS DataBase Reference: Diethyl propylmalonate(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl propylmalonate(2163-48-6)
• EPA Substance Registry System: Diethyl propylmalonate(2163-48-6)

Safety Data

• Statements: 10
• Safety Statements: 16-24/25-36/37/39-15/16
• WGK Germany: 3
• Hazardous Substances Data: 2163-48-6(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Oil

Uses

Different sources of media describe the Uses of 2163-48-6 differently. You can refer to the following data:
1. A diester derivative in relation to aquatic toxicity to Tetrahymena
2. Diethyl n-propylmalonate was used in the synthesis of propylacrylic acid (PAA).
3. Diethyl propylmalonate was used in the synthesis of propylacrylic acid (PAA).

InChI:InChI=1/C10H18O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h8H,4-7H2,1-3H3

Upstream product

• 1559-02-0 diethyl cyclopropane-1,1-dicarboxylate 
• 15681-48-8 lithium dimethylcuprate 
• 26103-78-6 propyl-oxalacetic acid diethyl ester 
• 17085-88-0 diethyl propylidenemalonate 
• 2049-80-1 (2-propenyl)propanedioic acid diethyl ester 
• 1889-26-5 valeryl bromide 
• 107-08-4 1-iodo-propane 
• 105-53-3 diethyl malonate 
• 64-17-5 ethanol 
• 540-54-5 1-Chloropropane 
• 187737-37-7 propene 
• 996-82-7 sodium diethylmalonate 
• 106-94-5 propyl bromide 
• 616-62-6 n-propylmalonic acid 

Downstream Products

• 94003-83-5 (2-phenoxy-ethyl)-propyl-malonic acid diethyl ester 
• 859201-71-1 (3-phenoxy-propyl)-propyl-malonic acid diethyl ester 
• 20591-90-6 (2-Methoxy-ethyl)-propyl-malonsaeure-diethylester 
• 3274-28-0 (+/-)-2-n-propylhexanoic acid 
• 85301-63-9 triethyl 2-propyl-2-(4-carboxybenzyl)-1,3-propanedioate 
• 130767-00-9 ethyl 2-<2-(1-methylethyl)-4-hydroxy-5-methylphenylcarbamoyl>-butanoate 
• 130767-01-0 N,N'-bis<2-(1-methylethyl)-4-hydroxy-5-methylphenyl>-2-propylpropanediamide 
• 88945-21-5 5-propyl-2-(2-phenylethyl)-4,6-dihydroxypirimidine 
• 102212-57-7 8-Hexyl-5-hydroxy-1,3-dimethyl-6-propyl-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione 
• 91284-96-7 9-(p-Fluorophenyl)-1,3-dimethyl-7-n-propyl-6-hydroxy-9H-8-oxo-pyrimido[2,1-f]purine-2,4-dione 
• 91285-44-8 5-Hydroxy-1,3-dimethyl-8-phenethyl-6-propyl-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione 
• 91285-22-2 5-Hydroxy-1,3-dimethyl-8-(1-phenyl-ethyl)-6-propyl-1H,8H-1,3,4b,8,9-pentaaza-fluorene-2,4,7-trione 
• 91284-94-5 9-(4-Fluorobenzyl)-6-hydroxy-1,3-dimethyl-7-n-propyl-9H-8-oxo-pyrimido[2,1-f]purine-2,4-dione 
• 91284-95-6 9-(p-Chlorobenzyl)-1,3-dimethyl-7-n-propyl-6-hydroxy-9H-8-oxo-pyrimido[2,1-f]purine-2,4-dione 

Relevant articles and documents

Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition

Metabolite profiling in anaerobic alkane biodegradation plays an important role in revealing activation mechanisms. Apart from alkylsuccinates, which are considered to be the usual biomarkers via fumarate addition, the downstream metabolites of C-skeleton rearrangement can also be regarded as biomarkers. However, it is difficult to detect intermediate metabolites in both environmental samples and enrichment cultures, resulting in lacking direct evidence to prove the occurrence of fumarate addition pathway. In this work, a synthetic method of rearrangement metabolites was established. Four compounds, namely, propylmalonic acid, 2-(2-methylbutyl)malonic acid, 2-(2-methylpentyl)malonic acid and 2-(2-methyloctyl)malonic acid, were synthesized and determined by four derivatization approaches. Besides, their mass spectra were obtained. Four characteristic ions were observed at m/z 133 + 14n, 160 + 28n, 173 + 28n and [M - (45 + 14n)]+ (n = 0 and 2 for ethyl and n-butyl esters, respectively). For methyl esterification, mass spectral features were m/z 132, 145 and [M - 31]+, while for silylation, fragments were m/z 73, 147, 217, 248, 261 and [M - 15]+. These data provide basis on identification of potential rearrangement metabolites in anaerobic alkane biodegradation via fumarate addition.

Nano-K2CO3: Preparation, characterization and evaluation of reactive activities

A novel base, nano-K2CO3, was easily prepared by ultrafine wet milling. The surface properties and the reactive activities of nano-K2CO3 were characterized. It was found that such a base showed higher basicity than normal K2CO3 and could replace sodium (or potassium) alkoxide to carry out monoalkylation and oximation of active methylene compounds. The nano-K2CO3 could be regenarated and reused 10 times without loss of its reactive activity.