Methyl pyruvate - ≥97%(GC) , CAS No.600-22-6

CAS: 600-22-6 Cat. No.: M136953 分子式: C₄H₆O₃ 分子量: 102.09 Beilstein Registry Number: 3616 EC番号: 209-987-4

GRADE & PURITY ≥97%(GC)

Synonyms

QSPL 174 | F1905-6998 | InChI=1/C4H6O3/c1-3(5)4(6)7-2/h1-2H | 2-oxopropionic acid methyl ester | 2-oxo-propionic acid methyl ester | Tox21_202853 | PYRORACEMIC ACID METHYL ESTER | NCGC00260399-01 | pyruvic acid methylester | Pyruvic acid, methyl ester | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Description:
Methyl pyruvate is a pyruvic ester. Surface conditions during Pt/silica EUROPT-1 modified by cinchonidine catalyzed by enantioselective hydrogenation of methyl pyruvate to R-(+)-methyl lactate were investigated. Enantioselective hydrogenation of methyl pyruvate over finely dispersed polyvinylpyrrolidone-stabilized and the corresponding alumina-supported iridium clusters modified with cinchonidine was studied. The molecular orientation and conformation of methyl pyruvate on Ni(111) surface has been investigated in the temperature range 105-220K. Methyl pyruvate is reported to stimulate insulin secretion in vitro and in vivo.

Application:

Methyl pyruvate may be used to investigate the adsorption and reactivity of methyl pyruvate on Pt{111}. It may be used in the preparation of dimethyl 2,3-dimethylenebutanedioate.

Specifications

同義語

QSPL 174 | F1905-6998 | InChI=1/C4H6O3/c1-3(5)4(6)7-2/h1-2H | 2-oxopropionic acid methyl ester | 2-oxo-propionic acid methyl ester | Tox21_202853 | PYRORACEMIC ACID METHYL ESTER | NCGC00260399-01 | pyruvic acid methylester | Pyruvic acid, methyl ester | A

仕様と純度

≥97%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 504752189
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752189
• カノニカル・スマイル: CC(=O)C(=O)OC
• IUPAC Name: methyl 2-oxopropanoate
• InChIKey: CWKLZLBVOJRSOM-UHFFFAOYSA-N
• INCHI: 1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
• 異性体SMILES: CC(=O)C(=O)OC
• 分子量: 102.09
• Beilstein: 3616
• Reaxy-Rn: 1361953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361953&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Keto acids and derivatives
      • Subclass Alpha-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Keto acids and derivatives
• Subclass: Alpha-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-keto acids and derivatives
• Alternative Parents: Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-keto acid - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
• External Descriptors: an ester

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

化学的性質と物理的性質

• 溶解度: Soluble in water, ether, alcohol, methanol, and chloroform.
• 感度: Moisture & heat sensitiv
• 屈折率: 1.4
• 引火点（°F）: 39°C(lit.)
• 引火点（°C）: 39°C(lit.)
• 沸点（°C）: 138 °C
• 分子量: 102.090 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 95.100
• 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

参考文献

1. Ziyue Zhou, Renjiang Li, Ke Li, Kai Zong, Dongshun Deng.  (2022)  Efficient and reversible absorption of low pressure NH3 by functional type V deep eutectic solvents based on phenol and hydroxypyridine.  NEW JOURNAL OF CHEMISTRY,  46  (45): (21730-21736).  [PMID:] [10.1039/D2NJ04409A]

2. Peilan Luo, Menglin Ye, Wenli Zhou, Pingping Wan, Zhongyun Ma, Zhongxian Qiu, Jilin Zhang, Ru-Shi Liu, Shixun Lian.  (2022)  Simultaneous construction of impermeable dual-shell stabilizing fluoride phosphors for white light-emitting diodes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134951]

3. Jifan Li, Duo Li, Chun-Ling Liu, Chunli Xu, Wen-Sheng Dong.  (2019)  The conversion of glycerol to methyl lactate catalyzed by tin-exchanged montmorillonite-supported gold catalysts.  JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,  94  (6): (1958-1967).  [PMID:] [10.1002/jctb.5979]

4. Aiyun Li, Qun Liu, Qiang Li, Baolin Liu, Yang Yang, Ning Zhang.  (2018)  Berberine Reduces Pyruvate-driven Hepatic Glucose Production by Limiting Mitochondrial Import of Pyruvate through Mitochondrial Pyruvate Carrier 1.  EBioMedicine,      [PMID:30093307] [10.1016/j.ebiom.2018.07.039]

5. He Liu, Shixi Wang, Meng Xu, Kaiyue Zhang, Qian Gao, Hualei Wang, Dongzhi Wei.  (2024)  Engineering an (R)-selective transaminase for asymmetric synthesis of (R)-3-aminobutanol.  BIOORGANIC CHEMISTRY,      [PMID:38492494] [10.1016/j.bioorg.2024.107264]

よくある質問

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

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 600-22-6, the molecular formula is C4H6O3, and the molecular weight is 102.09 g/mol. InChIKey CWKLZLBVOJRSOM-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.