Ethyl 4,4-diethoxy-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 4,4-diethoxy-3-oxobutanoate
• CAS No.: 10495-09-7
• Molecular Formula: C10H18O5
• Molecular Weight: 218.25
• Hs Code.: 2918990090
• European Community (EC) Number: 819-133-8
• DSSTox Substance ID: DTXSID00456624
• Nikkaji Number: J1.110.727C
• Wikidata: Q82279182
• Mol file: 10495-09-7.mol

Synonyms:Ethyl 4,4-diethoxy-3-oxobutanoate;10495-09-7;4,4-diethoxy-3-oxo-butyric acid ethyl ester;Butanoic acid, 4,4-diethoxy-3-oxo-, ethyl ester;ethyl 4,4-diethoxyacetoacetate;Ethyl 4,4-diethoxy-3-oxo-butanoate;ethyl diethoxyacetoacetate;SCHEMBL138841;DTXSID00456624;Ethyl4,4-diethoxy-3-oxobutanoate;HYVRRAANXHHPGH-UHFFFAOYSA-N;MFCD22494947;AKOS015999786;ETHYL2-(FUR-2-OYL)ACETOACETATE;ethyl 4,4-bis(ethyloxy)-3-oxobutanoate;DS-17912;3-Oxo-4,4-diethoxybutyric acid ethyl ester;CS-0151625;EN300-141247;Ethyl 4,4-diethoxy-3-oxobutanoate, AldrichCPR;Z1505546184

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

Chemical Property:

• Boiling Point: 112 °C(Press: 4-6 Torr)
• PKA: 9.58±0.46(Predicted)
• PSA: 61.83000
• Density: 1.052±0.06 g/cm3(Predicted)
• LogP: 0.90780
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 218.11542367
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl4,4-Diethoxy-3-oxobutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about Ethyl 4,4-diethoxy-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: 93.0%

ethyl acetate (141-78-6) + Ethyl diethoxyacetate (6065-82-3) → ethyl 4,4-diethoxyacetoacetate (10495-09-7)

Guidance literature:

ethyl acetate; Ethyl diethoxyacetate; With sodium; at 20 - 60 ℃; for 20h; Inert atmosphere;

With hydrogenchloride; In ethanol; water; pH=6;

Reference yield:

ethyl acetate (141-78-6) + Ethyl diethoxyacetate (6065-82-3) → ethyl 4,4-diethoxyacetoacetate (10495-09-7)

Guidance literature:

DOI:10.1111/j.1749-7345.2001.tb01091.x

Reference yield:

→ ethyl 4,4-diethoxyacetoacetate (10495-09-7)

Guidance literature:

upstream raw materials:

ethyl acetate

Ethyl diethoxyacetate

Downstream raw materials:

4,4-diethoxy-2-benzyl-3-oxo-butyric acid ethyl ester

2-amino-6-diethoxymethyl-3H-pyrimidin-4-one

6-diethoxymethyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

6-diethoxymethyl-2-phenyl-3H-pyrimidin-4-one

Refernces

• 1、 Ciufolini, Marco A.,Zhu, Shuren. "Practical synthesis of (±)-chlorovulone II". . p. 1668 - 1675. Retrieved 1998.
• 2、 -. "PYRROLE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". Paragraph 0140; 0141. . Retrieved 2015/02/19.