(Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )

Base Information

• Chemical Name: (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )
• CAS No.: 623565-14-0
• Molecular Formula: C17H18N4O6
• Molecular Weight: 374.34800
• Hs Code.: 2933998090
• Mol file: 623565-14-0.mol

Synonyms:(Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester );2-ETHYL 5-(4-NITROPHENYL)METHYL 4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRAZINE-2,5-DICARBOXYLATE;6,7-Dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitro-benzyl) ester;

Chemical Property of (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )

Chemical Property:

• PSA: 119.48000
• LogP: 2.58150
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

96% ^*data from raw suppliers

2-Ethyl 5-(4-nitrophenyl)methyl 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester )

There total 5 articles about (Pyrazolo[1,5-a]pyrazine-2,5(4H)-dicarboxylic acid, 6,7-dihydro-, 2-ethyl5-[(4-nitrophenyl)Methyl] ester ) 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: 64.0%

5-(4-nitrobenzyloxycarbonyl)-3-oxo-3a,4,6,7-tetrahydro-3H-2-oxa-1,5-diaza-7a-azoniainden-3a-ide (623565-12-8,718621-61-5) + propynoic acid ethyl ester (623-47-2) → 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitrobenzyl) ester (623565-14-0) + 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylic acid 3-ethyl ester 5-(4-nitrobenzyl) ester

Guidance literature:

In o-xylene; for 16h; Heating;

DOI:10.1021/jm060021p

Reference yield: 24.0%

5-(4-nitrobenzyloxycarbonyl)-3-oxo-3a,4,6,7-tetrahydro-3H-2-oxa-1,5-diaza-7a-azoniainden-3a-ide (623565-12-8,718621-61-5) → 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitrobenzyl) ester (623565-14-0) + 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxylic acid 3-ethyl ester 5-(4-nitrobenzyl) ester

Guidance literature:

In o-xylene;

Reference yield:

piperazine-1,3-dicarboxylic acid 1-(4-nitrobenzyl)ester (623565-10-6) → 6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2,5-dicarboxylic acid 2-ethyl ester 5-(4-nitrobenzyl) ester (623565-14-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. NaNO₂; AcOH / 2.5 h / 0 °C

2: 22.3 g / trifluoroacetic anhydride / tetrahydrofuran / 22.5 h / 0 - 20 °C

3: 64 percent / o-xylene / 16 h / Heating

With acetic acid; trifluoroacetic anhydride; sodium nitrite; In tetrahydrofuran; o-xylene;

DOI:10.1021/jm060021p

upstream raw materials:

5-(4-nitrobenzyloxycarbonyl)-3-oxo-3a,4,6,7-tetrahydro-3H-2-oxa-1,5-diaza-7a-azoniainden-3a-ide

propynoic acid ethyl ester

piperazine-1,3-dicarboxylic acid 1-(4-nitrobenzyl)ester

4-nitrosopiperazine-1,3-dicarboxylic acid 1-(4-nitrobenzyl) ester

Downstream raw materials:

2-formyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid 4-nitrobenzyl ester