BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER

Base Information

• Chemical Name: BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER
• CAS No.: 1025029-60-0
• Molecular Formula: C13H21NO5
• Molecular Weight: 271.313
• Mol file: 1025029-60-0.mol

Synonyms:BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER;tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate;Ethyl b-oxo-1-Boc-3-azetidinepropanoate

Chemical Property of BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER

Chemical Property:

• Boiling Point: 353.2±32.0 °C(Predicted)
• PKA: 10.28±0.20(Predicted)
• PSA: 72.91000
• Density: 1.162±0.06 g/cm3(Predicted)
• LogP: 1.31350

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl3-(3-Ethoxy-3-oxopropanoyl)azetidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC ACID ETHYL ESTER

There total 3 articles about BETA-OXO-1-BOC-3-AZETIDINEPROPANOIC 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: 92.0%

cycl-isopropylidene malonate (2033-24-1) + ethanol (64-17-5) + 1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid (142253-55-2) → tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate (1025029-60-0)

Guidance literature:

cycl-isopropylidene malonate; 1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid; With dmap; 1,1'-carbonyldiimidazole; In dichloromethane; at 0 - 20 ℃;

ethanol; for 6h; Heating / reflux;

Reference yield:

ethyl potassium malonate (6148-64-7) + 1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid (142253-55-2) → tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate (1025029-60-0)

Guidance literature:

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid; With 1,1'-carbonyldiimidazole; In tetrahydrofuran; at 20 ℃;

ethyl potassium malonate; With triethylamine; magnesium chloride; In tetrahydrofuran; acetonitrile; at 20 ℃; Cooling with ice;

Reference yield:

→ tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate (1025029-60-0)

Guidance literature:

With 1,1'-carbonyldiimidazole; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

With triethylamine; magnesium chloride; In acetonitrile; at 20 - 100 ℃; Inert atmosphere;

upstream raw materials:

cycl-isopropylidene malonate

ethanol

1-(t-butyloxycarbonyl)-azetidine-3-carboxylic acid

ethyl potassium malonate

Downstream raw materials:

tert-butyl 3-(2-(2-chlorophenyl)-6-hydroxy-pyrimidin-4-yl)-azetidine-1-carboxylate

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