Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate

Base Information

• Chemical Name: Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate
• CAS No.: 61155-09-7
• Molecular Formula: C₁₅H₂₀N₂O₃
• Molecular Weight: 276.335
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID10487883
• Mol file: 61155-09-7.mol

Synonyms:Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate;61155-09-7;ethyl (1-benzyl-3-oxopiperazin-2-yl)acetate;SCHEMBL5116646;DTXSID10487883;OTSGJEXXHXNHON-UHFFFAOYSA-N;AKOS005111435;SS-3070;F2147-1851;(1-benzyl-3-oxo-piperazin-2-yl)-acetic acid ethyl ester

Chemical Property of Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 276.14739250
• Heavy Atom Count: 20
• Complexity: 340

Purity/Quality:

98%Min ^*data from raw suppliers

Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1C(=O)NCCN1CC2=CC=CC=C2

Technology Process of Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate

There total 1 articles about Ethyl 2-(1-benzyl-3-oxopiperazin-2-yl)acetate 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: 58.0%

benzyl bromide (100-39-0) + ethyl 2-(3-oxopiperazin-2-yl)acetate (33422-35-4,686300-89-0) → (1-benzyl-3-oxo-piperazin-2-yl)-acetic acid ethyl ester (61155-09-7)

Guidance literature:

In ethanol; at 60 ℃; for 14h;

Reference yield: 90.0%

(1-benzyl-3-oxo-piperazin-2-yl)-acetic acid ethyl ester (61155-09-7) → 2-(1-benzyl-piperazin-2-yl)-ethanol (675589-80-7)

Guidance literature:

(1-benzyl-3-oxo-piperazin-2-yl)-acetic acid ethyl ester; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 28h;

With sodium hydroxide; In water;

Reference yield:

(1-benzyl-3-oxo-piperazin-2-yl)-acetic acid ethyl ester (61155-09-7) → 1,4-diaza-bicyclo[3,2,1]octane-4-carboxylic acid 4-phenoxy-phenyl ester fumaric acid salt

Guidance literature:

Multi-step reaction with 4 steps

1: lithium aluminium tetrahydride

2: triphenylphosphine; diethylazodicarboxylate

3: hydrogen / palladium on activated charcoal

4: N-ethyl-N,N-diisopropylamine / 1,4-dioxane; ethanol / 111 h / 20 °C

With lithium aluminium tetrahydride; hydrogen; N-ethyl-N,N-diisopropylamine; triphenylphosphine; diethylazodicarboxylate; palladium on activated charcoal; In 1,4-dioxane; ethanol;

upstream raw materials:

benzyl bromide

ethyl 2-(3-oxopiperazin-2-yl)acetate

Downstream raw materials:

2-(1-benzyl-piperazin-2-yl)-ethanol

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