Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)-

Base Information

Chemical Name:Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)-
CAS No.:77294-07-6
Molecular Formula:C₂₄H₂₄FN₃O₂
Molecular Weight:405.472
Hs Code.:
DSSTox Substance ID:DTXSID30998542

Synonyms:BRN 4592362;77294-07-6;Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)-;DTXSID30998542;C24-H24-F-N3-O2;LS-127754;2-[4-(4-Fluorophenyl)-4-oxobutyl]-1,3,4,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6(2H)-one

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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 Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)-

Chemical Property:

Boiling Point:655.7°Cat760mmHg
Flash Point:350.4°C
Density:1.35g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:405.18525518
Heavy Atom Count:30
Complexity:650

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN2C(CC3=C(C2=O)NC4=CC=CC=C34)CN1CCCC(=O)C5=CC=C(C=C5)F

Technology Process of Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)-

There total 2 articles about Pyrazino(1',2':1,6)pyrido(3,4-b)indol-6(2H)-one, 1,3,4,7,12,12a-hexahydro-2-(4-(4-fluorophenyl)-4-oxobutyl)- 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: 38.7%

: 77294-06-5
6-Oxo-1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole

: 3874-54-2,41167-07-1
4-(4-fluorophenyl)-4-oxo-n-butyl chloride

: 77294-07-6
2-γ-(p-Fluorobenzoyl)propyl-6-oxo-1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole

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

Reference yield:

: 55344-28-0
1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole

: 77294-07-6
2-γ-(p-Fluorobenzoyl)propyl-6-oxo-1,2,3,4,6,7,12,12a-octahydropyrazino<2',1':6,1>pyrido<3,4-b>indole

Guidance literature:: Multi-step reaction with 2 steps

1: 23.9 percent / mercuric acetate / acetic acid; H₂O / 24 h / 100 °C

2: 38.7 percent / Na₂CO₃, NaI / dimethylformamide

With mercury(II) diacetate; sodium carbonate; sodium iodide; In water; acetic acid; N,N-dimethyl-formamide;