2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate

Base Information

• Chemical Name: 2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate
• CAS No.: 90096-33-6
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.502
• European Community (EC) Number: 802-095-1
• Mol file: 90096-33-6.mol

Synonyms:2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate;90096-33-6;SCHEMBL9433773

Chemical Property of 2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate

Chemical Property:

• PSA: 58.80000
• LogP: 3.37540
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 379.22597718
• Heavy Atom Count: 28
• Complexity: 484

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N
• Isomeric SMILES: C/C(=C\C(=O)OCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/N

Technology Process of 2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate

There total 2 articles about 2-(4-Benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate 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:

2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate (89226-49-3) → 2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate (90096-33-6)

Guidance literature:

With ethanol; ammonia;

DOI:10.1248/cpb.33.3787

Reference yield:

1-diphenylmethyl-4-(2-hydroxyethyl)piperazine (10527-64-7) → 2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate (90096-33-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 739.8 g / 2 h / 70 - 80 °C

2: 20 percent NH₃/EtOH

With ethanol; ammonia;

DOI:10.1248/cpb.33.3787

Reference yield: 65.0%

2-(4-diphenylmethyl-1-piperazinyl)ethyl 3-aminocrotonate (90096-33-6) + (4S,6S)-2-<1-acetyl-2-(3-nitrophenyl)ethenyl>-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinane (146142-53-2) → 2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4S,6S)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate (98908-06-6)

Guidance literature:

In toluene; for 10h; Heating;

DOI:10.1248/cpb.40.2370

upstream raw materials:

2-(4-diphenylmethyl-1-piperazinyl)ethyl acetoacetate

1-diphenylmethyl-4-(2-hydroxyethyl)piperazine

Downstream raw materials:

Manidipine dihydrochloride

2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4R,6R)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

2-(4-diphenylmethyl-1-piperazinyl)ethyl (4RS)-5-<(4S,6S)-4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl>-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylate

2-Hydroxy-6-methyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester

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