Ethyl 2,4-dioxovalerate - ≥98% , CAS No.615-79-2

CAS: 615-79-2 Cat. No.: E136676 Summenformel: C₇H₁₀O₄ Molekulargewicht: 158.15 Beilstein Registry Number: 607062 EG-Nummer: 210-447-5

GRADE & PURITY ≥98%

Synonyms

AI3-01354 | BBL027738 | DTXSID10210476 | Ethyl acetopyruvate | NCIOpen2_001802 | Ethyl (acetylmethyl)glyoxylate | 2,4-dioxopentanoic acid ethyl ester | 2,4-dioxo-pentanoic acid ethyl ester | ETHYL-2,4-DIOXOVALERATE | Ethyl2,4-dioxovalerate | AKOS004115473

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Assymmmetric hydrogenation of ethyl 2,4-dioxovalerate in the presence of chiral rhodium or ruthenium catalysts yields 2-hydroxy-4-methyltetrahydrofuran-2-one. Ethyl 2,4-dioxovalerate is a potential anti-fungal agent.

Specifications

Synonyme

AI3-01354 | BBL027738 | DTXSID10210476 | Ethyl acetopyruvate | NCIOpen2_001802 | Ethyl (acetylmethyl)glyoxylate | 2,4-dioxopentanoic acid ethyl ester | 2,4-dioxo-pentanoic acid ethyl ester | ETHYL-2,4-DIOXOVALERATE | Ethyl2,4-dioxovalerate | AKOS004115473

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754351
• Kanonisches Lächeln: CCOC(=O)C(=O)CC(=O)C
• IUPAC Name: ethyl 2,4-dioxopentanoate
• InChIKey: OYQVQWIASIXXRT-UHFFFAOYSA-N
• INCHI: 1S/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
• Isomere SMILES: CCOC(=O)C(=O)CC(=O)C
• WGK Deutschland: 3
• Molekulargewicht: 158.15
• Beilstein: 607062
• Reaxy-Rn: 607062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-Acylpyruvic acids
• Alternative Parents: Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 3-acylpyruvic acid - 1,3-diketone - Fatty acid ester - Alpha-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with water, ether,chloroform, methanol and ethanol.
• Brechungsindex: 1.47
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 215 °C
• Schmelzpunkt (°C): 16-18 °C
• Molekulargewicht: 158.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 158.058 Da
• Monoisotopic Mass: 158.058 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 615-79-2, the molecular formula is C7H10O4, and the molecular weight is 158.15 g/mol. InChIKey OYQVQWIASIXXRT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.