2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one

Base Information

• Chemical Name: 2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one
• CAS No.: 134334-40-0
• Molecular Formula: C15H20N2O
• Molecular Weight: 244.337
• DSSTox Substance ID: DTXSID20576176
• Nikkaji Number: J469.698K
• Mol file: 134334-40-0.mol

Synonyms:134334-40-0;2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one;2-benzylhexahydro-1H-pyrido[1,2-a]pyrazin-7(2H)-one;2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-7-one;DTXSID20576176;AT18740;CS-0145826

Chemical Property of 2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 244.157563266
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(=O)CN2C1CN(CC2)CC3=CC=CC=C3

Technology Process of 2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one

There total 15 articles about 2-Benzylhexahydro-2H-pyrido[1,2-a]pyrazin-7(6H)-one 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: 92.0%

2-Benzyl-7-(ethylenedioxy)octahydro-2H-pyrido<1,2-a>-pyrazine (134334-39-7) → 2-Benzylhexahydro-2H-pyrido<1,2-a>pyrazin-7(6H)-one (134334-40-0)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1021/jo00017a036

Reference yield:

benzyl bromide (100-39-0) → 2-Benzylhexahydro-2H-pyrido<1,2-a>pyrazin-7(6H)-one (134334-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 1.) ice cooled, 1 h, 2.) r.t., 1 h

2: 92 percent / 6 M HCl / 3 h / Heating

With hydrogenchloride; triethylamine; In dichloromethane;

DOI:10.1021/jo00017a036

Reference yield:

1-Benzyl-5,5-(ethylenedioxy)-2-piperidinecarbonitrile (132462-23-8) → 2-Benzylhexahydro-2H-pyrido<1,2-a>pyrazin-7(6H)-one (134334-40-0)

Guidance literature:

Multi-step reaction with 6 steps

1: LiAlH₄ / tetrahydrofuran / 0.33 h

2: 96 percent / CH₂Cl₂ / 0.25 h

3: Bu₄NBr / 1,2-dichloro-benzene / 1 h / Heating

4: LiAlH₄ / tetrahydrofuran / 3 h

5: Et₃N / CH₂Cl₂ / 1.) ice cooled, 1 h, 2.) r.t., 1 h

6: 92 percent / 6 M HCl / 3 h / Heating

With hydrogenchloride; lithium aluminium tetrahydride; tetrabutylammomium bromide; triethylamine; In tetrahydrofuran; dichloromethane; 1,2-dichloro-benzene;

DOI:10.1021/jo00017a036

upstream raw materials:

2-Benzyl-7-(ethylenedioxy)octahydro-2H-pyrido<1,2-a>-pyrazine

Methyl 4-Benzyl-2-methoxycarbonylethylpiperazin-1-ylacetate

5-chloro-4-oxopentanoic acid methyl ester

methyl 5-bromo-4-oxopentanoate

Downstream raw materials:

2-benzyl-7-(4-fluorophenyl)-1,3,4,6,9,9a-hexahydro-2H-pyrido<1,2-a>pyrazine

2-benzyl-7-(4-fluorophenyl)-1,3,4,8,9,9a-hexahydro-2H-pyrido<1,2-a>pyrazine