Ethyl 4-methoxy-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 4-methoxy-3-oxobutanoate
• CAS No.: 66762-68-3
• Molecular Formula: C7H12O4
• Molecular Weight: 160.17
• Hs Code.: 2918990090
• European Community (EC) Number: 822-801-1
• DSSTox Substance ID: DTXSID80505528
• Wikidata: Q72475740
• Mol file: 66762-68-3.mol

Synonyms:ethyl 4-methoxy-3-oxobutanoate;66762-68-3;ETHYL 4-METHOXY-3-OXO-BUTANOATE;4-Methoxy-3-oxo-butanoic acid ethyl ester;MFCD07783018;Ethyl 4-methoxyacetoacetate;Butanoic acid, 4-methoxy-3-oxo-, ethyl ester;Ethyl 4-Methyloxy-3-oxo-butanoate;ETHYL4-METHOXY-3-OXO-BUTANOATE;ethyl 4-methoxy-acetoacetate;SCHEMBL126088;DTXSID80505528;CMKOJBYFNYDATH-UHFFFAOYSA-N;AKOS010952106;CS-W022693;gamma-methoxyacetoacetic acid ethyl ester;AS-40133;SY114322;FT-0651422;EN300-81790;Z839817118

Chemical Property of Ethyl 4-methoxy-3-oxobutanoate

Chemical Property:

• Boiling Point: 68-71 °C(Press: 5 Torr)
• PKA: 9.90±0.46(Predicted)
• PSA: 52.60000
• Density: 1.060±0.06 g/cm3(Predicted)
• LogP: 0.15510
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.07355886
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

ethyl4-methoxy-3-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)COC

Technology Process of Ethyl 4-methoxy-3-oxobutanoate

There total 9 articles about Ethyl 4-methoxy-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: 41.0%

ethanol (64-17-5) + 4-methoxyacetoacetic acid methylester (41051-15-4) → ethyl 4-methoxy-3-oxobutanoate (66762-68-3)

Guidance literature:

With dmap; for 48h; Reflux;

DOI:10.1039/c6nj02048h

Reference yield: 15.1%

methanol (67-56-1) + ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-methoxy-3-oxobutanoate (66762-68-3)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

Reference yield:

ethyl (2-chloroaceto)acetate (638-07-3) → ethyl 4-methoxy-3-oxobutanoate (66762-68-3)

Guidance literature:

methanol; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

ethyl (2-chloroaceto)acetate; In N,N-dimethyl-formamide; at 0 ℃;

upstream raw materials:

4-bromoethyl acetoacetate

sodium methylate

Methoxyacetyl chloride

ethyl bromoacetate

Downstream raw materials:

6-methoxymethyl-2-thiouracil

C₁₇H₂₄N₂O₆

6-methoxymethyl-2-methyl-4(3H)pyrimidinone

γ-methoxy-β-aminocrotonic acid ethyl ester

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