Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride

Base Information

Chemical Name:Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride
CAS No.:115041-65-1
Molecular Formula:C23H29 N3 O S . Cl H
Molecular Weight:432.0218
Hs Code.:
DSSTox Substance ID:DTXSID90921598
Mol file:115041-65-1.mol

Synonyms:115041-65-1;Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride;C23H29N3OS.ClH;DTXSID90921598;C23-H29-N3-O-S.Cl-H;LS-9670;N-(4-{[3-(1,3,4,6,11,11a-Hexahydro-2H-pyrazino[1,2-b]isoquinolin-2-yl)propyl]sulfanyl}phenyl)ethanimidic acid--hydrogen chloride (1/1)

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

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Chemical Property of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride

Chemical Property:

Vapor Pressure:4.66E-15mmHg at 25°C
Boiling Point:615°Cat760mmHg
Flash Point:325.7°C
Density:g/cm³
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:431.1798115
Heavy Atom Count:29
Complexity:508

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=CC=C(C=C1)SCCCN2CCN3CC4=CC=CC=C4CC3C2.Cl

Technology Process of Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride

There total 2 articles about Acetamide, N-(4-((3-(1,3,4,6,11,11a-hexahydro-2H-pyrazino(1,2-b)isoquinolin-2-yl)propyl)thio)phenyl)-, monohydrochloride 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%

: 78234-11-4
γ-chloropropyl-4-acetamidophenyl sulphide

: 50290-83-0
1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline

: 115041-65-1
1-(1,3,4,6,11,11a-hexahydro-2H-pyrazino<1,2-b>isoquinolin-2-yl)-3-(4-acetamidophenylthio)propane hydrochloride

Guidance literature:: With sodium carbonate; sodium iodide; In N,N-dimethyl-formamide; at 80 ℃;

Reference yield:

: 1126-81-4
4-acetamidothiophenol

: 115041-65-1
1-(1,3,4,6,11,11a-hexahydro-2H-pyrazino<1,2-b>isoquinolin-2-yl)-3-(4-acetamidophenylthio)propane hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / NaOH (aq.) / ethanol / 2 h / 100 °C

2: 70 percent / NaI, Na₂CO₃ / dimethylformamide / 80 °C

With sodium hydroxide; sodium carbonate; sodium iodide; In ethanol; N,N-dimethyl-formamide;