Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)

Base Information

Chemical Name:Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)
CAS No.:86758-80-7
Molecular Formula:C₃₂H₄₈N₄O₄*2ClH
Molecular Weight:625.679
Hs Code.:
DSSTox Substance ID:DTXSID90235804

Synonyms:N,N'-(1,4-Piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)acetamide) HCl H2O;Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1);86758-80-7;DTXSID90235804;C32H48N4O4.2ClH.H2O;C32-H48-N4-O4.2Cl-H.H2-O

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Supply Marketing:

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

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Chemical Property of Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)

Chemical Property:

Boiling Point:778.3°Cat760mmHg
Flash Point:424.5°C
Density:g/cm³
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:624.3209115
Heavy Atom Count:42
Complexity:673

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C(=C1)C)OCC(=O)NCCCN2CCN(CC2)CCCNC(=O)COC3=C(C=C(C=C3C)C)C)C.Cl.Cl

Technology Process of Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)

There total 3 articles about Acetamide, N,N'-(1,4-piperazinediyldi-3,1-propanediyl)bis(2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1) 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: 71.0%

: 7209-38-3
1,4-bis(3-aminopropyl)piperazine

: 86745-91-7
methyl 2,4,6-trimethylphenoxyacetate

: 86758-80-7
2-(2,4,6-Trimethyl-phenoxy)-N-[3-(4-{3-[2-(2,4,6-trimethyl-phenoxy)-acetylamino]-propyl}-piperazin-1-yl)-propyl]-acetamide; hydrochloride

Guidance literature:: With hydrogenchloride; 1.) ethanol, reflux 24 h, 2.) ether;
DOI:10.1135/cccc19831089

Reference yield:

: 527-60-6
Mesitol

: 86758-80-7
2-(2,4,6-Trimethyl-phenoxy)-N-[3-(4-{3-[2-(2,4,6-trimethyl-phenoxy)-acetylamino]-propyl}-piperazin-1-yl)-propyl]-acetamide; hydrochloride

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / NaOH / H₂O

2: 68 percent / K₂CO₃ / acetone; H₂O

3: 71 percent / HCl / 1.) ethanol, reflux 24 h, 2.) ether

With hydrogenchloride; sodium hydroxide; potassium carbonate; In water; acetone;
DOI:10.1135/cccc19831089

Reference yield:

: 13333-81-8
2,4,6-trimethylphenoxyacetic acid

: 86758-80-7
2-(2,4,6-Trimethyl-phenoxy)-N-[3-(4-{3-[2-(2,4,6-trimethyl-phenoxy)-acetylamino]-propyl}-piperazin-1-yl)-propyl]-acetamide; hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 68 percent / K₂CO₃ / acetone; H₂O

2: 71 percent / HCl / 1.) ethanol, reflux 24 h, 2.) ether

With hydrogenchloride; potassium carbonate; In water; acetone;
DOI:10.1135/cccc19831089