Ethyl 4,4-dimethoxy-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 4,4-dimethoxy-3-oxobutanoate
• CAS No.: 6956-50-9
• Molecular Formula: C8H14O5
• Molecular Weight: 190.196
• NSC Number: 65045
• DSSTox Substance ID: DTXSID20289870
• Nikkaji Number: J314.876I
• Wikidata: Q82027382
• Mol file: 6956-50-9.mol

Synonyms:ethyl 4,4-dimethoxy-3-oxobutanoate;6956-50-9;NSC65045;ethyl 4,4-dimethoxy-3-oxo-butyrate;NCIOpen2_000321;SCHEMBL5212003;DTXSID20289870;YKFZUZNJSXYIOR-UHFFFAOYSA-N;3-aminoN,N-dimethyl4-nitroaniline;ethyl4,4-dimethoxy-3-oxobutanoate;ethyl 4,4-dimethoxy-3-oxobutyrate;NSC-65045;ethyl 4,4-dimethoxy-3-oxo-butanoate;AKOS014279984;FT-0729322;EN300-95823

Chemical Property of Ethyl 4,4-dimethoxy-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Boiling Point: 257.6°Cat760mmHg
• Flash Point: 115.4°C
• PSA: 61.83000
• Density: 1.091g/cm³
• LogP: 0.12760
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 190.08412354
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)C(OC)OC

Technology Process of Ethyl 4,4-dimethoxy-3-oxobutanoate

There total 3 articles about Ethyl 4,4-dimethoxy-3-oxobutanoate 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: 96.0%

Methyl dimethoxyacetate (89-91-8) + ethyl acetate (141-78-6) → ethyl 4,4-dimethoxy-3-oxo-butyrate (6956-50-9)

Guidance literature:

With sodium hydride; for 10h; Heating / reflux;

Reference yield:

ethyl α,α-dimethoxyacetate (90837-72-2) → ethyl 4,4-dimethoxy-3-oxo-butyrate (6956-50-9)

Guidance literature:

With sodium; In ethyl acetate; at 60 ℃;

Reference yield:

ethyl α,α-dimethoxyacetate (90837-72-2) + ethyl acetate (141-78-6) → ethyl 4,4-dimethoxy-3-oxo-butyrate (6956-50-9)

Guidance literature:

With sodium;

DOI:10.1021/ja01647a022

upstream raw materials:

ethyl α,α-dimethoxyacetate

ethyl acetate

Methyl dimethoxyacetate

Downstream raw materials:

1,1-dimethoxy-heptan-2-one

3-butyl-2-dimethoxymethyl-quinoline-4-carboxylic acid

benzyl 4,4-dimethoxy-3-oxobutyrate

(3-phenyl-2-propene-1-yl) 4,4-dimethoxy-3-oxobutyrate