Ethyl methoxyacetate - ≥98% , CAS No.3938-96-3

CAS: 3938-96-3 Cat. No.: E136304 Peso molecular: 118.13 Beilstein Registry Number: 1744761 Número EC: 223-521-7

GRADE & PURITY ≥98%

Synonyms

Ethylmethoxyacetate | 1H-Purin-2-amine, 6-(methylthio)- | 2-Methoxy ethyl acetate | ethyl(methyloxy)acetate | FT-0626204 | 5-Methylfurmithide | AMY3969 | F11239 | Methoxyacetic acid ethyl ester | methoxy-acetic acid ethyl ester | Methylglycol acetate | LS

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

application：

Ethyl methoxyacetate was used:

as acyl donor during the preparation of enantiomers of several phenylethylamines

as acylation reagent for the aminolysis of 1-phenylethanamine

in an industrial, lipase-catalysed kinetic resolution of primary amine

Specifications

Sinónimos

Ethylmethoxyacetate | 1H-Purin-2-amine, 6-(methylthio)- | 2-Methoxy ethyl acetate | ethyl(methyloxy)acetate | FT-0626204 | 5-Methylfurmithide | AMY3969 | F11239 | Methoxyacetic acid ethyl ester | methoxy-acetic acid ethyl ester | Methylglycol acetate | LS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488185420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185420
• Sonrisas canónicas: CCOC(=O)COC
• IUPAC Name: ethyl 2-methoxyacetate
• InChIKey: JLEKJZUYWFJPMB-UHFFFAOYSA-N
• INCHI: 1S/C5H10O3/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3
• Isómeros SMILES: CCOC(=O)COC
• WGK Alemania: 3
• Número ONU: 3272
• Grupo de embalaje: III
• Peso molecular: 118.13
• Beilstein: 1744761
• Reaxy-Rn: 1744761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Sensitive to air
• Índice de refracción: 1.401
• Punto de inflamación (°F): 114.8 °F
• Punto de inflamación (°C): 46 °C
• Punto de ebullición (°C): 44-45.5 °C
• Peso molecular: 118.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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

Referencias

1. Mengyu Li, Wei Zhuang, Xia Meng, Wenxia Zhang, Keke Zhang, Zhenfu Wang.  (2025)  Tailoring microenvironments of metal-enzyme cascade catalysts for efficient DKR reaction of chiral amine.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2025.116079]

2. Zhao Ke, Tan Liang-Xiao, Gao Ning, Sun Jian-Ke.  (2025)  Ionic organic cage as a versatile platform for immobilizing chemical and enzymatic sites for chemoenzymatic catalysis.  Nature Communications,  16  (1): (1-15).  [PMID:40592833] [10.1038/s41467-025-60292-5]