1-Piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-Piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• CAS No.: 88053-13-8
• Molecular Formula: C₁₆H₂₂N₂O₄
• Molecular Weight: 306.362
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID30694097
• Mol file: 88053-13-8.mol

Synonyms:88053-13-8;1-piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;(E)-1-(piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one;DTXSID30694097;BCP33577;N-(3,4,5-trimethoxycinnamoyl)piperazine;CID 53395268;FT-0652254

Chemical Property of 1-Piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.3E-10mmHg at 25°C
• Refractive Index: 1.556
• Boiling Point: 512.4 °C at 760 mmHg
• Flash Point: 263.7 °C
• PSA: 60.03000
• Density: 1.153 g/cm³
• LogP: 1.42410
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 306.15795719
• Heavy Atom Count: 22
• Complexity: 368

Purity/Quality:

97% ^*data from raw suppliers

1-(Piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCNCC2

Technology Process of 1-Piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

There total 15 articles about 1-Piperazin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 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: 70.0%

piperazine (110-85-0) + (E)-3,4,5-trimethoxy-cinnamic acid (20329-98-0,20329-99-1,90-50-6) → N-(3,4,5-trimethoxy cinnamoyl)-piperazine (88053-13-8)

Guidance literature:

(E)-3,4,5-trimethoxy-cinnamic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 0.25h;

piperazine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 5h;

DOI:10.1080/00397911.2013.848370

Reference yield: 62.0%

piperazine (110-85-0) + (E)-3-(3,4,5-trimethoxyphenyl)acryloyl chloride (10263-19-1,89652-61-9) → N-(3,4,5-trimethoxy cinnamoyl)-piperazine (88053-13-8)

Guidance literature:

With acetic acid; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2019.06.086

Reference yield: 27.5%

tert-butyl 4-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinecarboxylate (1374250-20-0) → 3,4,5-trimethoxyphenylacryloylpiperazine (53792-97-5,88053-13-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 8h;

upstream raw materials:

3,4,5-trimethoxy-benzaldehyde

3,4,5-trimethoxycinnamic acid

3',4',5'-trimethoxycinnamoyl chloride

tert-butyl 4-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]-1-piperazinecarboxylate

Downstream raw materials:

(E)-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one