Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI)

Base Information

• Chemical Name: Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI)
• CAS No.: 51052-05-2
• Molecular Formula: C10H9N3O
• Molecular Weight: 187.201
• Hs Code.: 2933990090
• Mol file: 51052-05-2.mol

Synonyms:Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI);3,4-DIHYDRO-PYRAZINO[1,2-A]BENZIMIDAZOL-1(2H)-ONE

Chemical Property of Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI)

Chemical Property:

• PKA: 13.34±0.20(Predicted)
• PSA: 46.92000
• Density: 1.49±0.1 g/cm3(Predicted)
• LogP: 1.10850

Purity/Quality:

99% ^*data from raw suppliers

3,4-dihydro-Pyrazino[1,2-a]benzimidazol-1(2H)-one 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI)

There total 1 articles about Pyrazino[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro- (9CI) 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:

2-benzimidazolecarboxylic acid (2849-93-6) → 3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one (51052-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 12 h / 20 °C / Inert atmosphere

2: thionyl chloride / N,N-dimethyl-formamide / 3 h / 150 °C / Inert atmosphere

With thionyl chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2019.111881

Reference yield: 65.0%

1-(4-bromobutoxy)-4-(trifluoromethoxy)benzene (1195950-16-3) + 3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one (51052-05-2) → C21H20F3N3O3

Guidance literature:

3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 60 ℃; for 0.5h; Inert atmosphere;

1-(4-bromobutoxy)-4-(trifluoromethoxy)benzene; In N,N-dimethyl-formamide; mineral oil; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2019.111881

Reference yield: 61.0%

1-(4-bromobutoxy)-4-(trifluoromethyl)benzene + 3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one (51052-05-2) → 2-[4-(4-trifluoromethylphenoxy)butyl]-3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one

Guidance literature:

3,4-dihydropyrazino[1,2-a]benzimidazol-1(2H)-one; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 60 ℃; for 0.5h; Inert atmosphere;

1-(4-bromobutoxy)-4-(trifluoromethyl)benzene; In N,N-dimethyl-formamide; mineral oil; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1016/j.ejmech.2019.111881

upstream raw materials:

2-benzimidazolecarboxylic acid

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