2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline

Base Information

• Chemical Name: 2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline
• CAS No.: 50290-83-0
• Molecular Formula: C12H16N2
• Molecular Weight: 188.26900
• DSSTox Substance ID: DTXSID00482281
• Mol file: 50290-83-0.mol

Synonyms:50290-83-0;2,3,4,6,11,11A-HEXAHYDRO-1H-PYRAZINO[1,2-B]ISOQUINOLINE;SCHEMBL3874553;DTXSID00482281;1,3,4,6,11,11a-hexahydro-2h-pyrazino[1,2-b]isoquinoline

Chemical Property of 2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline

Chemical Property:

• PSA: 15.27000
• LogP: 1.28320
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.131348519
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,6,11,11A-hexahydro-1H-pyrazino[1,2-b]isoquinoline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CC3=CC=CC=C3CC2CN1

Technology Process of 2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline

There total 1 articles about 2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline 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:

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

Guidance literature:

Lactam 7, LiAlH4;

Reference yield: 75.0%

3-bromo-N-phenylpropanamide (7661-07-6) + 1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline (50290-83-0) → 3-(1,3,4,6,11,11a-Hexahydro-pyrazino[1,2-b]isoquinolin-2-yl)-N-phenyl-propionamide (100222-15-9)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 24h;

DOI:10.1021/jm00173a011

Reference yield: 70.0%

3-Bromo-N-(2-chloro-phenyl)-propionamide (26974-77-6) + 1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline (50290-83-0) → N-(2-Chloro-phenyl)-3-(1,3,4,6,11,11a-hexahydro-pyrazino[1,2-b]isoquinolin-2-yl)-propionamide (100222-14-8)

Guidance literature:

With sodium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 24h;

DOI:10.1021/jm00173a011

Downstream raw materials:

3-(1,3,4,6,11,11a-Hexahydro-pyrazino[1,2-b]isoquinolin-2-yl)-N-phenyl-propionamide

N-(2-Chloro-phenyl)-3-(1,3,4,6,11,11a-hexahydro-pyrazino[1,2-b]isoquinolin-2-yl)-propionamide

3-(1,3,4,6,11,11a-Hexahydro-pyrazino[1,2-b]isoquinolin-2-yl)-N-(2-nitro-phenyl)-propionamide

2-[3-(4-Methoxy-phenylsulfanyl)-propyl]-1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline

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