2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate

Base Information

• Chemical Name: 2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate
• CAS No.: 90096-32-5
• Molecular Formula: C₁₆H₂₀Cl₂N₂O₃
• Molecular Weight: 359.252
• DSSTox Substance ID: DTXSID40600846
• Wikidata: Q82497142

Synonyms:90096-32-5;2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate;SCHEMBL10367299;DTXSID40600846

Chemical Property of 2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 358.0850979
• Heavy Atom Count: 23
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)OCCN1CCN(CC1)C2=C(C=CC(=C2)Cl)Cl

Technology Process of 2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate

There total 1 articles about 2-[4-(2,5-Dichlorophenyl)piperazin-1-yl]ethyl 3-oxobutanoate 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:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + 2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethanol (90096-41-6) → 3-Oxo-butyric acid 2-[4-(2,5-dichloro-phenyl)-piperazin-1-yl]-ethyl ester (90096-32-5)

Guidance literature:

at 70 - 80 ℃;

DOI:10.1248/cpb.33.3787

Reference yield: 54.9%

3-nitro-benzaldehyde (99-61-6) + 3-Oxo-butyric acid 2-[4-(2,5-dichloro-phenyl)-piperazin-1-yl]-ethyl ester (90096-32-5) + methyl 3-aminocrotonate (14205-39-1) → 2-[4-(2,5-dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate (90096-08-5)

Guidance literature:

In isopropyl alcohol; Heating;

DOI:10.1248/cpb.33.3787

upstream raw materials:

4-methyleneoxetan-2-one

2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethanol

Downstream raw materials:

2-[4-(2,5-dichlorophenyl)-1-piperazinyl]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

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