4-Ethoxy-4-oxobutylzinc bromide solution - 0.5M in THF , CAS No.131379-39-0

CAS: 131379-39-0 Cat. No.: E465885 Formula: C₆H₁₁BrO₂Zn Peso molecolare: 260.44 PubChem CID: 4390801

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Description

4-Ethoxy-4-oxobutylzinc bromide can be used:As an intermediate in one of the key synthetic steps for the preparation of acrylic acid derivatives as EP3 receptor antagonists.As an intermediate in the final step of the total synthesis of a natural product mucosin.As a substrate in the synthesis of multi-substituted haloalkenes by reacting with 1-haloalkenes via Negishi cross-coupling reaction.

Specifications

Specifiche e purezza

0.5M in THF

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Nomi e identificatori

• Pubchem Sid: 528759962
• Sorrisi canonici: CCOC(=O)CC[CH2-].[Zn+]Br
• IUPAC Name: bromozinc(1+);ethyl butanoate
• InChIKey: XPARCVGSTPKNNR-UHFFFAOYSA-M
• INCHI: 1S/C6H11O2.BrH.Zn/c1-3-5-6(7)8-4-2;;/h1,3-5H2,2H3;1H;/q-1;;+2/p-1
• Isomeri SMILES: CCOC(=O)CC[CH2-].[Zn+]Br
• PubChem CID: 4390801
• Peso molecolare: 260.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Organic transition metal salts Organic metal halides Organic metal bromide salts Monocarboxylic acids and derivatives Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Carboxylic acid derivative - Organic metal halide - Monocarboxylic acid or derivatives - Organic transition metal salt - Organic metal salt - Organic metal bromide salt - Organic salt - Organooxygen compound - Organic bromide salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Proprietà chimiche e fisiche

• Solubilità: Reacts with water.
• Sensibilità: air sensitive；heat sensitive
• Punto di ebollizione (°C): 66° C
• Peso molecolare: 260.399 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 257.923 Da
• Monoisotopic Mass: 257.923 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 78.100
• 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: 2

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