Ethyl 4-(2-methoxyethoxy)-3-oxobutanoate

Base Information

• Chemical Name: Ethyl 4-(2-methoxyethoxy)-3-oxobutanoate
• CAS No.: 130611-26-6
• Molecular Formula: C₉H₁₆O₅
• Molecular Weight: 204.223
• European Community (EC) Number: 603-429-7
• DSSTox Substance ID: DTXSID501209490

Synonyms:ethyl 4-(2-methoxyethoxy)-3-oxobutanoate;130611-26-6;4-(2-Methoxy-ethoxy)-3-oxo-butyric acid ethyl ester;Butanoic acid, 4-(2-methoxyethoxy)-3-oxo-, ethyl ester;SCHEMBL3281103;SYFJNNYHOIAJFL-UHFFFAOYSA-N;DTXSID501209490;AKOS013211674;CS-0248266;EN300-395405;Butanoicacid,4-(2-methoxyethoxy)-3-oxo-,ethylester;Z1171195897

Chemical Property of Ethyl 4-(2-methoxyethoxy)-3-oxobutanoate

Chemical Property:

• Vapor Pressure: 0.00356mmHg at 25°C
• Boiling Point: 281.5±20.0 °C(Predicted)
• PKA: 9.83±0.46(Predicted)
• PSA: 61.83000
• Density: 1.072±0.06 g/cm3(Predicted)
• LogP: 0.17170
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 204.09977361
• Heavy Atom Count: 14
• Complexity: 178

Purity/Quality:

99%, ^*data from raw suppliers

4-(2-Methoxy-ethoxy)-3-oxo-butyricacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)COCCOC

Technology Process of Ethyl 4-(2-methoxyethoxy)-3-oxobutanoate

There total 4 articles about Ethyl 4-(2-methoxyethoxy)-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: 62.0%

2-methoxy-ethanol (109-86-4,95507-80-5) + ethyl (2-chloroaceto)acetate (638-07-3) → 4-(2-methoxy-ethoxy)-3-oxo-butyric acid ethyl ester (130611-26-6)

Guidance literature:

2-methoxy-ethanol; With sodium hydride; In tetrahydrofuran; mineral oil; at 10 - 15 ℃; for 0.5h; Inert atmosphere;

ethyl (2-chloroaceto)acetate; In tetrahydrofuran; mineral oil; at 20 ℃; for 2h;

Reference yield:

cycl-isopropylidene malonate (2033-24-1) + 2-(2-methoxyethoxy)acetyl chloride (16024-55-8) → 4-(2-methoxy-ethoxy)-3-oxo-butyric acid ethyl ester (130611-26-6)

Guidance literature:

cycl-isopropylidene malonate; 2-(2-methoxyethoxy)acetyl chloride; In pyridine; at 0 - 20 ℃; for 3h;

With hydrogenchloride; In pyridine; water;

Reference yield:

2-(2-methoxyethoxy)acetic acid (16024-56-9) + hydrogen ethyl malonate (1071-46-1) → 4-(2-methoxy-ethoxy)-3-oxo-butyric acid ethyl ester (130611-26-6)

Guidance literature:

hydrogen ethyl malonate; With magnesium ethylate; In tetrahydrofuran; for 1.5h;

2-(2-methoxyethoxy)acetic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃; for 52h; Reflux;

upstream raw materials:

2-methoxy-ethanol

ethyl (2-chloroaceto)acetate

2-(2-methoxyethoxy)acetic acid

ethyl potassium malonate

Downstream raw materials:

4-(2,3-Dichloro-phenyl)-2-(2-methoxy-ethoxymethyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

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