Sodium 2-Oxobutyrate - ≥98%(T) , CAS No.2013-26-5

CAS: 2013-26-5 Cat. No.: S161412 Peso molecular: 124.07 Beilstein Registry Number: 3631700 Número EC: 217-937-8

GRADE & PURITY ≥98%(T)

Synonyms

alpha-Ketobutyric acid sodium salt | C4H5NaO3 | AKOS016013087 | DTXSID60883538 | sodiuM2-oxobutanoate | Sodium-alpha-ketobutrate | BUTYRIC ACID, 2-OXO-, SODIUM SALT | Sodium 2-Ketobutyrate | AC-37022 | Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

application：

Sodium 2-oxobutyrate can be used to prepare metal complexes, such as lanthanide element poly (imino carboxylate) complexes and semi sandwich complexes of (S) 1-amino-2- (methoxymethyl) - pyrrolidine. It can also be used to synthesize antiviral agents and 6-azapyrimidin-2 '- deoxy-4' - thionucleosides.

Specifications

Sinónimos

alpha-Ketobutyric acid sodium salt | C4H5NaO3 | AKOS016013087 | DTXSID60883538 | sodiuM2-oxobutanoate | Sodium-alpha-ketobutrate | BUTYRIC ACID, 2-OXO-, SODIUM SALT | Sodium 2-Ketobutyrate | AC-37022 | Cyclopropanecarboxylic acid, 2, 2-dimethyl-3-(2-methyl

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504769582
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769582
• Sonrisas canónicas: CCC(=O)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-oxobutanoate
• InChIKey: SUAMAHKUSIHRMR-UHFFFAOYSA-M
• INCHI: 1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: CCC(=O)C(=O)[O-].[Na+]
• WGK Alemania: 3
• RTECS: ET5955900
• Peso molecular: 124.07
• Beilstein: 3631700
• Reaxy-Rn: 3631701
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3631701&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Keto acids and derivatives
      • Subclass Short-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Keto acids and derivatives
• Subclass: Short-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Short-chain keto acids and derivatives
• Alternative Parents: Alpha-keto acids and derivatives Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Short-chain keto acid - Alpha-keto acid - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 210℃
• Peso molecular: 124.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.014 Da
• Monoisotopic Mass: 124.014 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 99.500
• 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

Referencias

1. Yan-Fei Liang, Ze-Xin Niu, Zi-Wen Wu, Qing-Yang Zhang, Xin-Yi Zhao, Lei-Lei Chao, Heng Li, Wen-Yun Gao.  (2024)  Catalytic Insights of Acetolactate Synthases from Different Bacteria.  ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS,      [PMID:39617118] [10.1016/j.abb.2024.110248]

2. Lili Zhang, Yu Hong, Jiapeng Lu, Yi Wang, Wei Luo.  (2024)  Semi-rational engineering of ω-transaminase for enhanced enzymatic activity to 2-ketobutyrate.  ENZYME AND MICROBIAL TECHNOLOGY,      [PMID:39197216] [10.1016/j.enzmictec.2024.110505]