ethyl (4-nitro-1H-pyrazol-1-yl)acetate

Base Information

• Chemical Name: ethyl (4-nitro-1H-pyrazol-1-yl)acetate
• CAS No.: 39753-81-6
• Molecular Formula: C7H9N3O4
• Molecular Weight: 199.16
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50349911
• Nikkaji Number: J2.134.588A
• Wikidata: Q82125474
• Mol file: 39753-81-6.mol

Synonyms:39753-81-6;ethyl (4-nitro-1H-pyrazol-1-yl)acetate;ethyl 2-(4-nitro-1h-pyrazol-1-yl)acetate;ethyl 2-(4-nitropyrazol-1-yl)acetate;ethyl {4-nitro-1H-pyrazol-1-yl}acetate;Ethyl 4-nitropyrazole-1-acetate;1H-Pyrazole-1-acetic acid, 4-nitro-, ethyl ester;SCHEMBL15895123;DTXSID50349911;MFCD00297171;STK349299;AKOS000111838;AKOS015922361;AS-8979;BB 0258903;CS-0124150;FT-0679404;D82183;EN300-182146;(4-Nitro-pyrazol-1-yl)-acetic acid ethyl ester;A873574;AG-205/09850060

Chemical Property of ethyl (4-nitro-1H-pyrazol-1-yl)acetate

Chemical Property:

• PSA: 89.94000
• LogP: 0.87760
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 199.05930578
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

ethyl(4-nitro-1H-pyrazol-1-yl)acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C=C(C=N1)[N+](=O)[O-]

Technology Process of ethyl (4-nitro-1H-pyrazol-1-yl)acetate

There total 2 articles about ethyl (4-nitro-1H-pyrazol-1-yl)acetate 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: 93.0%

4-nitro-1H-pyrazole (2075-46-9) + ethyl bromoacetate (105-36-2) → ethyl 2-(4-nitro-1H-pyrazol-1-yl)acetate (39753-81-6)

Guidance literature:

With potassium carbonate; In acetone; at 65 ℃; for 3h;

Reference yield: 90.0%

ethyl 2-hydrazinylacetate (637-80-9) + β-formyl-β-nitroenamine (181294-57-5) → ethyl 2-(4-nitro-1H-pyrazol-1-yl)acetate (39753-81-6)

Guidance literature:

In methanol; at 20 ℃; for 24h;

DOI:10.1021/jo0488513

Reference yield: 90.0%

ethyl 2-(4-nitro-1H-pyrazol-1-yl)acetate (39753-81-6) → ethyl 2-(4-amino-1H-pyrazol-1-yl)acetate (1152841-53-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; for 12h; under 760.051 Torr;

upstream raw materials:

4-nitro-1H-pyrazole

ethyl bromoacetate

ethyl 2-hydrazinylacetate

β-formyl-β-nitroenamine

Downstream raw materials:

2-(4-nitro-1H-pyrazol-1-yl)acetic acid

ethyl 2-(4-amino-1H-pyrazol-1-yl)acetate

N-methyl-2-(4-nitro-1H-pyrazol-1-yl)acetamide

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide