Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate

Base Information

• Chemical Name: Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate
• CAS No.: 133473-90-2
• Molecular Formula: C₁₅H₂₀N₂O₄
• Molecular Weight: 292.335
• DSSTox Substance ID: DTXSID901187771
• Nikkaji Number: J397.202J
• Mol file: 133473-90-2.mol

Synonyms:DTXSID901187771;133473-90-2;Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate

Chemical Property of Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 292.14230712
• Heavy Atom Count: 21
• Complexity: 356

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOCN1CCN(CC1=O)C(=O)OCC2=CC=CC=C2

Technology Process of Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate

There total 2 articles about Phenylmethyl 4-(ethoxymethyl)-3-oxo-1-piperazinecarboxylate 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:

benzyl chloroformate (501-53-1,94274-21-2) → 4-carbobenzoxy-1-(ethoxymethylene)-2-ketopiperazine (133473-90-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / Na₂CO₃ / H₂O; ethyl acetate / 16 h / Ambient temperature

2: 1) NaH / 1) THF, 2) THF, r.t., 18 h

With sodium hydride; sodium carbonate; In water; ethyl acetate;

DOI:10.1021/jo00011a051

Reference yield:

4-benzyloxycarbonylpiperazin-2-one (78818-15-2) + ethyl chloromethyl ether (3188-13-4) → 4-carbobenzoxy-1-(ethoxymethylene)-2-ketopiperazine (133473-90-2)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1) THF, 2) THF, r.t., 18 h;

DOI:10.1021/jo00011a051

upstream raw materials:

4-benzyloxycarbonylpiperazin-2-one

ethyl chloromethyl ether

benzyl chloroformate

Refernces