Dimethyl 2-oxoglutarate - ≥95%(GC) , CAS No.13192-04-6

CAS: 13192-04-6 Cat. No.: D163011 Formula: C₇H₁₀O₅ Peso molecolare: 174.15 Numero EC: 965-192-9

GRADE & PURITY ≥95%(GC)

Synonyms

dimethyl 2-oxidanylidenepentanedioate | EN300-1661000 | K0013 | Pentanedioic acid, 2-oxo-, dimethyl ester | SCHEMBL9543 | BCP24128 | Glutaric acid, 2-oxo-, dimethyl ester | Dimethyl 2-oxoglutarate, 96% | FT-0612735 | Dimethyl 2-oxopentanedioate # | Dimeth

Storage

Room temperature

Shipped In

Normal

Panoramica

Dimethyl 2-oxoglutarate is a key intermediate formed during the Krebs cycle and an important nitrogen transporter in the biological metabolic pathways. The electrochemical behavior of dimethyl-2-oxoglutarate has been investigated by cyclic voltammetry, square wave voltammetry and differential pulse voltammetry using a glassy carbon electrode.
Dimethyl 2-oxoglutarate may be used to synthesize the conformationally constrained PNA (peptide nucleic acid) -monomer capable of binding thymine in a triplex motif. It may be used in the synthesis of 4-aryl kainic acid analogs, via highly stereoselective Michael addition reaction with nitrostyrene.

Specifications

Sinonimi

dimethyl 2-oxidanylidenepentanedioate | EN300-1661000 | K0013 | Pentanedioic acid, 2-oxo-, dimethyl ester | SCHEMBL9543 | BCP24128 | Glutaric acid, 2-oxo-, dimethyl ester | Dimethyl 2-oxoglutarate, 96% | FT-0612735 | Dimethyl 2-oxopentanedioate # | Dimeth

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

488182979

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182979

Sorrisi canonici

COC(=O)CCC(=O)C(=O)OC

IUPAC Name

dimethyl 2-oxopentanedioate

InChIKey

TXIXSLPEABAEHP-UHFFFAOYSA-N

INCHI

1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3

Isomeri SMILES

COC(=O)CCC(=O)C(=O)OC

WGK Germania

3

Peso molecolare

174.15

Reaxy-Rn

1781665

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781665&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma-keto acids and derivatives
• Alternative Parents: Fatty acid methyl esters Dicarboxylic acids and derivatives Alpha-keto acids and derivatives Methyl esters Ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Gamma-keto acid - Fatty acid ester - Fatty acid methyl ester - Alpha-keto acid - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.439
• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di ebollizione (°C): 90-95 °C
• Punto di fusione (°C): 117°C/3mmHg
• Peso molecolare: 174.150 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 174.053 Da
• Monoisotopic Mass: 174.053 Da
• Topological Polar Surface Area: 69.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 196.000
• 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

Domande frequenti

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.

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13192-04-6, the molecular formula is C7H10O5, and the molecular weight is 174.15 g/mol. InChIKey TXIXSLPEABAEHP-UHFFFAOYSA-N.