(1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate

Base Information

Chemical Name:(1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate
CAS No.:129229-91-0
Molecular Formula:C₃₃H₄₆N₂O₁₀
Molecular Weight:630.736
Hs Code.:
DSSTox Substance ID:DTXSID00926332
ChEMBL ID:CHEMBL6211

Synonyms:129229-91-0;(1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate;CHEMBL6211;N,N'-Di-(3',4',5'-trimethoxybenzoyl)-2-n-octanoyloxymethylpiperazine;Octanoic acid, (1,4-bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl ester;[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl octanoate;SCHEMBL10471395;DTXSID00926332;C33H46N2O10;BDBM50046997;C33-H46-N2-O10;LS-97952;Octanoic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester

Suppliers and Price of (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate

Chemical Property:

Vapor Pressure:4.1E-23mmHg at 25°C
Boiling Point:761.9°Cat760mmHg
Flash Point:414.6°C
Density:1.161g/cm³
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:17
Exact Mass:630.31524567
Heavy Atom Count:45
Complexity:894

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Technology Process of (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate

There total 4 articles about (1,4-Bis(3,4,5-trimethoxybenzoyl)-2-piperazinyl)methyl octanoate 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: 78.0%

: 4521-61-3
3,4,5-Trimethoxybenzoyl chloride

: Octanoic acid piperazin-2-ylmethyl ester; hydrochloride

: 129229-91-0
Octanoic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester

Guidance literature:: With triethylamine; In benzene; Ambient temperature;
DOI:10.1021/jm00060a006

Reference yield:

: 148227-85-4
Octanoic acid 1,4-dibenzyl-piperazin-2-ylmethyl ester

: 129229-91-0
Octanoic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: H₂, conc. HCl / 10percent Pd/C / ethanol / 40 °C / 2068.6 Torr

2: 78 percent / Et₃N / benzene / Ambient temperature

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; benzene;
DOI:10.1021/jm00060a006

Reference yield:

: 111-64-8
n-octanoic acid chloride

: 129229-91-0
Octanoic acid 1,4-bis-(3,4,5-trimethoxy-benzoyl)-piperazin-2-ylmethyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / Et₃N / benzene / Ambient temperature

2: H₂, conc. HCl / 10percent Pd/C / ethanol / 40 °C / 2068.6 Torr

3: 78 percent / Et₃N / benzene / Ambient temperature

With hydrogenchloride; hydrogen; triethylamine; palladium on activated charcoal; In ethanol; benzene;
DOI:10.1021/jm00060a006