3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER

Base Information

• Chemical Name: 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER
• CAS No.: 856414-68-1
• Molecular Formula: C₁₀H₁₆O₄
• Molecular Weight: 200.235
• Hs Code.: 2932999099
• Mol file: 856414-68-1.mol

Synonyms:ETHYL 3-OXO-3-(TETRAHYDRO-2H-PYRAN-4-YL)PROPANOATE;TETRAHYDRO-BETA-OXO-2H-PYRAN-4-PROPANOIC ACID ETHYL ESTER;

Chemical Property of 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 287.7±30.0 °C(Predicted)
• PKA: 10.32±0.20(Predicted)
• PSA: 52.60000
• Density: 1.101±0.06 g/cm3(Predicted)
• LogP: 0.93530

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-oxo-3-(tetrahydro-2H-pyran-4-yl)propanoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER

There total 3 articles about 3-OXO-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID ETHYL ESTER 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: 13.0%

1-(tetrahydro-2H-pyran-4-yl)ethan-1-one (137052-08-5) + Diethyl carbonate (105-58-8,76619-83-5) → 3-oxo-3-(tetrahydropyran-4-yl)propionic acid ethyl ester (856414-68-1)

Guidance literature:

1-(tetrahydro-2H-pyran-4-yl)ethan-1-one; Diethyl carbonate; With sodium ethanolate; at 80 - 90 ℃; for 1h;

With acetic acid; In ethanol; iso-butanol; at 0 - 10 ℃;

Reference yield:

tetrahydropyran-4-carboxylic acid methyl ester (110238-91-0) + ethyl acetate (141-78-6) → 3-oxo-3-(tetrahydropyran-4-yl)propionic acid ethyl ester (856414-68-1)

Guidance literature:

ethyl acetate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃;

tetrahydropyran-4-carboxylic acid methyl ester; In tetrahydrofuran; at -78 ℃; for 4h;

With ammonium chloride;

Reference yield:

tetrahydro-2H-pyran-4-carboxylic acid (5337-03-1) + ethyl potassium malonate (6148-64-7) → 3-oxo-3-(tetrahydropyran-4-yl)propionic acid ethyl ester (856414-68-1)

Guidance literature:

ethyl potassium malonate; With magnesium chloride; In tetrahydrofuran; at 10 - 50 ℃; for 2.5h; Industry scale;

tetrahydro-2H-pyran-4-carboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 30 - 34 ℃; for 18.5h; Industry scale;

upstream raw materials:

1-(tetrahydro-2H-pyran-4-yl)ethan-1-one

Diethyl carbonate

tetrahydropyran-4-carboxylic acid methyl ester

ethyl acetate

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