Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one

Base Information

• Chemical Name: Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one
• CAS No.: 117810-52-3
• Molecular Formula: C7H12N2O
• Molecular Weight: 140.185
• Hs Code.: 2933990090
• European Community (EC) Number: 817-693-8
• Mol file: 117810-52-3.mol

Synonyms:117810-52-3;Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-one;Hexahydro-pyrrolo[1,2-a]pyrazin-6-one;2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;octahydropyrrolo[1,2-a]piperazin-6-one;hexahydropyrrolo[1,2-a]pyrazin-6(7H)-one;Pyrrolo[1,2-a]pyrazin-6(2H)-one, hexahydro-;1,4-diazabicyclo[4.3.0]nonan-9-one;SCHEMBL337591;tetrahydropyrrolo[1,2-a]pyrazin-6(1H,2H,7H)-one;BHFXPKPIPBNKFI-UHFFFAOYSA-N;BCP31727;MFCD08752614;AKOS015998657;PB20584;PB26654;SB12633;AS-30753;(rac)-hexahydropyrrolo[1,2-a]pyrazin-6-one;CS-0137488;FT-0694428;EN300-60330;Hexahydro-pyrrolo[1 pound not2-a]pyrazin-6-one;Hexahydropyrrolo[1,2-a]pyrazin-6-one

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

Chemical Property:

• Boiling Point: 284.4±29.0 °C(Predicted)
• PKA: 8.32±0.20(Predicted)
• PSA: 32.34000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: -0.15270
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.094963011
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Hexahydro-pyrrolo[1,2-a]pyrazin-6-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N2C1CNCC2

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

There total 9 articles about Hexahydropyrrolo[1,2-a]pyrazin-6(2H)-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: 97.0%

(±)-tert-butyl 3-(piperazin-2-yl)propanoate (221255-77-2) → 2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one (117810-52-3)

Guidance literature:

at 190 ℃; for 2h;

Reference yield: 72.0%

methyl 1,4-dibenzyl-2-piperazin-3-acrylate → 2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one (117810-52-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 8h; under 2585.81 Torr;

DOI:10.1021/jm991170t

Reference yield: 71.0%

C23H28N2O2 → 2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one (117810-52-3)

Guidance literature:

With palladium 10% on activated carbon; In ethanol; at 70 ℃; under 2844.39 Torr;

upstream raw materials:

3-Piperazin-2-yl-propionic acid

(±)-tert-butyl 3-(piperazin-2-yl)propanoate

2-Methylpyrazine

tert-butyl 3-(pyrazin-2-yl)propanoate

Downstream raw materials:

C₂₂H₂₅ClN₆O₂

C₁₄H₁₅N₃O₅

Refernces

• 1、 -. "COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS". Page/Page column 97. . Retrieved 2015/03/28.
• 2、 Scapecchi, Serena,Martini, Elisabetta,Manetti, Dina,Ghelardini, Carla,Martelli, Cecilia,Dei, Silvia,Galeotti, Nicoletta,Guandalini, Luca,Romanelli, Maria Novella,Teodori, Elisabetta. "Structure-activity relationship studies on unifiram (DM232) and sunifiram (DM235), two novel and potent cognition enhancing drugs". . p. 71 - 85. Retrieved 2007/10/03.