Ethyl methoxyacetate

Base Information

• Chemical Name: Ethyl methoxyacetate
• CAS No.: 3938-96-3
• Molecular Formula: C5H10O3
• Molecular Weight: 118.133
• Hs Code.: 29189900
• European Community (EC) Number: 223-521-7
• NSC Number: 245101
• UNII: DG69CT8YO7
• DSSTox Substance ID: DTXSID50192580
• Nikkaji Number: J101.054I
• Wikidata: Q72475685
• Mol file: 3938-96-3.mol

Synonyms:2-methoxy ethyl acetate;methoxyethyl acetate

Chemical Property of Ethyl methoxyacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.18mmHg at 25°C
• Refractive Index: n20/D 1.401(lit.)
• Boiling Point: 144.1 °C at 760 mmHg
• Flash Point: 46.1 °C
• PSA: 35.53000
• Density: 1.007 g/cm³
• LogP: 0.19590
• Storage Temp.: Flammables area
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.062994177
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

97% ^*data from raw suppliers

Ethyl Methoxyacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)COC
• Uses: Ethyl methoxyacetate was used as acyl donor during the preparation of enantiomers of several phenylethylamines, as acylation reagent for the aminolysis of 1-phenylethanamine and used in an industrial, lipase-catalyzed kinetic resolution of primary amine. Ethyl methoxyacetate was used:as acyl donor during the preparation of enantiomers of several phenylethylaminesas acylation reagent for the aminolysis of 1-phenylethanaminein an industrial, lipase-catalysed kinetic resolution of primary amine

Technology Process of Ethyl methoxyacetate

There total 15 articles about Ethyl methoxyacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

diazoacetic acid ethyl ester (623-73-4) + methanol (67-56-1) → ethyl 2-methoxyacetate (3938-96-3)

Guidance literature:

methyltrioxorhenium(VII); In benzene; for 48h; Ambient temperature;

DOI:10.1021/ja954039t

Reference yield: 68.0%

ethanol (64-17-5) + 2-methoxyacetic acid (625-45-6) → ethyl 2-methoxyacetate (3938-96-3)

Guidance literature:

toluene-4-sulfonic acid; In toluene; at 20 ℃; for 5h; Reflux;

Reference yield: 20.0%

diazoacetic acid ethyl ester (623-73-4) + methanol (67-56-1) → methyl methoxyacetate (6290-49-9) + ethyl 2-methoxyacetate (3938-96-3) + ethyl 3-hydroxypropanoate (623-72-3) + Ethoxyessigsaeure-methylester (17640-26-5)

Guidance literature:

Irradiation;

DOI:10.1016/S0040-4039(00)61877-4

upstream raw materials:

ethanol

2-methoxyacetonitrile

ethyl 2-methoxyacetimidate monohydrochloride

sodium methylate

Downstream raw materials:

21-hydroxypregnenolone

methoxyacetic acid-((1RS,2SR)-2-hydroxy-1-methyl-2-phenyl-ethylamide)

5-methoxy-2-thiouracil

1-methoxypentane-2,4-dione

Refernces

Synthesis of enantiopure benzyl homoallylamines by indium-mediated barbier-type allylation combined with enzymatic kinetic resolution: Towards the chemoenzymatic synthesis of N-containing heterocycles

10.1002/ejoc.200901216

The research explores a chemoenzymatic approach to synthesize enantiopure benzyl homoallylamines and their subsequent transformation into N-containing heterocycles. The purpose of this study is to develop a reliable and efficient method for producing enantiopure amines, which are crucial intermediates in the synthesis of biologically and pharmaceutically relevant compounds, such as neuroactive pharmaceuticals and peptidomimetics. The researchers utilized indium-mediated Barbier-type allylation of N,N-dimethylsulfamoyl-protected aldimines to produce racemic homoallylamines. These were then subjected to enzymatic kinetic resolution using lipase-catalyzed N-acylation to obtain enantiopure (S)-amines and (R)-amides. The enantiopure amines were further converted into N-containing heterocycles through ring-closing metathesis. Key chemicals used in this research include indium, various allylating agents (e.g., methallyl bromide, prenyl bromide), N,N-dimethylsulfamoyl-protected aldimines, lipase enzymes (e.g., Burkholderia cepacia lipase, Candida antarctica lipases), and acyl donors (e.g., ethyl methoxyacetate, isopropyl acetate). The study concludes that this combined chemoenzymatic approach is effective for synthesizing enantiopure amines and N-containing heterocycles, demonstrating its potential for creating biologically active compounds with high enantiopurity.

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