Monoethyl Potassium Malonate - ≥98%(T) , CAS No.6148-64-7

CAS: 6148-64-7 Cat. No.: M158631 Molecular Weight: 170.21 Beilstein Registry Number: 3721680 EC Number: 228-156-7

GRADE & PURITY ≥98%(T)

Synonyms

potassium;3-ethoxy-3-oxopropanoate | SY004359 | monopotassium ethyl malonate | BP-10086 | F3310-0342 | NSC 20414 | Potassium monoethyl malonate | Malonic Acid Ethyl Ester Potassium Salt | potassium monoethylmalonate | AKOS000278458 | potassium 3-ethoxy-3-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Ethyl potassium malonate (potassium ethyl malonate) reacts with aryl nitriles in the presence of zinc chloride and a catalytic amount of Hünig′s base to yield β-amino acrylates. Ethyl potassium malonate is formed as an intermediate during the synthesis of ethyl tert-butyl malonate.
Ethyl potassium malonate (potassium ethyl malonate) may be used to generate (trimethylsilyl)ethyl malonate in situ, which can be acylated to prepare a variety of β-ketoesters or alkylidene malonates.

Specifications

Synonyms

potassium;3-ethoxy-3-oxopropanoate | SY004359 | monopotassium ethyl malonate | BP-10086 | F3310-0342 | NSC 20414 | Potassium monoethyl malonate | Malonic Acid Ethyl Ester Potassium Salt | potassium monoethylmalonate | AKOS000278458 | potassium 3-ethoxy-3-

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488194404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194404
• Canonical Smiles: CCOC(=O)CC(=O)[O-].[K+]
• IUPAC Name: potassium;3-ethoxy-3-oxopropanoate
• InChIKey: WVUCPRGADMCTBN-UHFFFAOYSA-M
• INCHI: 1S/C5H8O4.K/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1
• Isomeric SMILES: CCOC(=O)CC(=O)[O-].[K+]
• WGK Germany: 2
• Molecular Weight: 170.21
• Beilstein: 3721680
• Reaxy-Rn: 3721682
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3721682&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid salts Carboxylic acid esters Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 194℃
• Molecular Weight: 170.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 169.998 Da
• Monoisotopic Mass: 169.998 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3