Ethyl 4,4-diethoxy-3-oxopentanoate

Base Information

• Chemical Name: Ethyl 4,4-diethoxy-3-oxopentanoate
• CAS No.: 6312-89-6
• Molecular Formula: C11H20 O5
• Molecular Weight: 232.277
• NSC Number: 40580
• UNII: 4Z7FQE2X7Z
• DSSTox Substance ID: DTXSID80212462
• Wikidata: Q83087599
• Mol file: 6312-89-6.mol

Synonyms:6312-89-6;Valeric acid, 3,4-dioxo-, ethyl ester, 4-diethyl acetal;4Z7FQE2X7Z;NSC-40580;4,4-Diethoxy-3-oxo-ethyl ester pentanoic acid;ethyl 4,4-diethoxy-3-oxopentanoate;NSC40580;NSC 40580;UNII-4Z7FQE2X7Z;DTXSID80212462;VALERIC ACID, 3,4-DIOXO-, ETHYL ESTER, 4-(DIETHYL ACETAL)

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

Chemical Property:

• Vapor Pressure: 0.000939mmHg at 25°C
• Boiling Point: 303.3°C at 760 mmHg
• Flash Point: 134.1°C
• PSA: 61.83000
• Density: 1.039g/cm³
• LogP: 1.29790
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 232.13107373
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 1 articles about Ethyl 4,4-diethoxy-3-oxopentanoate 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:

→ ethyl 3-oxo-4,4-diethoxypentanoate (6312-89-6)

Guidance literature:

Brenztraubensaeure-aethylester-diaethylketal , Aethylacetat in Ggw. v. NaH;

DOI:10.1021/jo01067a092

Reference yield: 33.0%

ethyl 3-oxo-4,4-diethoxypentanoate (6312-89-6) + guanidine hydrogen carbonate (124-46-9,20734-13-8,100224-74-6,593-85-1,90332-86-8,3425-08-9) → 2-amino-6-(1,1-diethoxyethyl)-4(1H)-pyrimidinone (86944-23-2) + 2-Amino-6-(1,1-diethoxy-ethyl)-pyrimidin-4-ol (86944-23-2,86944-47-0)

Guidance literature:

In ethanol; for 17h; Heating;

DOI:10.1021/jo00169a001

Reference yield:

ethyl 3-oxo-4,4-diethoxypentanoate (6312-89-6) + orthoformic acid triethyl ester (122-51-0) → ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate (56563-25-8)

Guidance literature:

With acetic anhydride;

Downstream raw materials:

ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate

2-amino-6-(1,1-diethoxyethyl)-4(1H)-pyrimidinone

2-Amino-6-(1,1-diethoxy-ethyl)-pyrimidin-4-ol

2-pivalamido-6-(1,1-diethoxyethyl)-4(1H)-pyrimidinone