3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid
• CAS No.: 512810-21-8
• Molecular Formula: C₆H₇N₃O₄
• Molecular Weight: 185.139
• DSSTox Substance ID: DTXSID601290795
• Mol file: 512810-21-8.mol

Synonyms:3-(4-nitro-1H-pyrazol-1-yl)propanoic acid;512810-21-8;3-(4-nitropyrazol-1-yl)propanoic acid;MFCD03074554;3-{4-nitro-1H-pyrazol-1-yl}propanoic acid;Oprea1_003601;AK-968/41170472;SCHEMBL672001;DTXSID601290795;BBL015875;STK348651;AKOS000204703;AKOS015922307;4-Nitro-1H-pyrazole-1-propanoic acid;FS-6036;3-(4-Nitro-pyrazol-1-yl)-propionic acid;3-(4-nitro-1H-pyrazol-1-yl)propanoicacid;BB 0254406;EN300-52701;Z228588526

Chemical Property of 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

Chemical Property:

• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 185.04365571
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-nitro-1H-pyrazol-1-yl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=NN1CCC(=O)O)[N+](=O)[O-]

Technology Process of 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

There total 2 articles about 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid 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: 100.0%

4-nitro-1H-pyrazole (2075-46-9) + Methyl 3-bromopropionate (3395-91-3) → 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid (512810-21-8)

Guidance literature:

4-nitro-1H-pyrazole; Methyl 3-bromopropionate; With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 3h;

With water; lithium hydroxide; In methanol; at 20 ℃; for 0.5h;

Reference yield:

4-nitro-1H-pyrazole (2075-46-9) + acrylic acid (79-10-7) → 3-(4-nitro-1H-pyrazol-1-yl)propanoic acid (512810-21-8)

Guidance literature:

With N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/ja01614a074

upstream raw materials:

4-nitro-1H-pyrazole

acrylic acid

Methyl 3-bromopropionate