Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate

Base Information

• Chemical Name: Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate
• CAS No.: 109386-70-1
• Molecular Formula: C₁₂H₂₃NO₄
• Molecular Weight: 245.319
• European Community (EC) Number: 600-917-1
• DSSTox Substance ID: DTXSID601218046
• Nikkaji Number: J1.629.730E

Synonyms:109386-70-1;ethyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]butanoate;ETHYL 4-[(3-ETHOXY-3-OXOPROPYL)(METHYL)AMINO]BUTANOATE;SCHEMBL8632462;DTXSID601218046;NS00009403;Ethyl 4-[(3-ethoxy-3-oxopropyl)methylamino]butanoate

Chemical Property of Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate

Chemical Property:

• Vapor Pressure: 0.000665mmHg at 25°C
• Boiling Point: 120 °C(Press: 0.975 Torr)
• PKA: 8.48±0.50(Predicted)
• Density: 1.018±0.06 g/cm3(Predicted)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 245.16270821
• Heavy Atom Count: 17
• Complexity: 231

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CCCN(C)CCC(=O)OCC

Technology Process of Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate

There total 1 articles about Ethyl 4-[(3-ethoxy-3-oxopropyl)(methyl)amino]butanoate 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%

ethyl 3-methylaminopropionate (2213-08-3) + ethyl 4-iodobutyrate (7425-53-8) → ethyl 4-(N-(2-ethoxycarbonylethyl)-N-methyl)aminobutyrate (109386-70-1)

Guidance literature:

With potassium carbonate; In chloroform; for 12h; Heating;

Reference yield:

ethyl 4-(N-(2-ethoxycarbonylethyl)-N-methyl)aminobutyrate (109386-70-1) → 1-methyl-1,2,3,5,6,7-hexahydroazepin-4-one hydrochloride (19869-42-2)

Guidance literature:

With potassium tert-butylate; In 5,5-dimethyl-1,3-cyclohexadiene; Reflux; Large scale;

upstream raw materials:

ethyl 3-methylaminopropionate

ethyl 4-iodobutyrate

Downstream raw materials:

1-methyl-1,2,3,5,6,7-hexahydroazepin-4-one hydrochloride

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