3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoic acid
• CAS No.: 82553-75-1
• Molecular Formula: C7H9N3O4
• Molecular Weight: 199.166
• European Community (EC) Number: 617-353-7
• DSSTox Substance ID: DTXSID001249944

Synonyms:3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoic acid;82553-75-1;2-Methyl-5-nitro-1-imidazolepropionic acid;3-(2-methyl-5-nitroimidazol-1-yl)propanoic acid;3-(2-methyl-5-nitro-imidazol-1-yl)propanoic Acid;SCHEMBL5309855;DTXSID001249944;BBL010038;STK319154;AKOS000103798;VS-02292;BB 0219263;CS-0330989;2-methyl-5-nitro-1H-Imidazole-1-propanoic acid;3-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)-PROPIONIC ACID

Chemical Property of 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoic acid

Chemical Property:

• Melting Point: 204.9 - 206.3 °C
• PSA: 100.94000
• LogP: 1.09760
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 199.05930578
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99.9% ^*data from raw suppliers

2-methyl-5-nitro-1H-Imidazole-1-propanoicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NC=C(N1CCC(=O)O)[N+](=O)[O-]

Technology Process of 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoic acid

There total 1 articles about 3-(2-methyl-5-nitro-1H-imidazol-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: 87.5%

methyl 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoate (1273542-72-5) → 3-(2-methyl-5-nitroimidazol-1-yl)propionic acid (82553-75-1)

Guidance literature:

With sodium carbonate; at 85 ℃; for 2.5h;

DOI:10.3390/molecules21121693

Reference yield: 82.2%

4-piperidylmethyl 4-methylbenzenesulfonate methanesulfonate + 3-(2-methyl-5-nitroimidazol-1-yl)propionic acid (82553-75-1) → N-[3-(2-methyl-5-nitroimidazol-1-yl)propionyl]piperidin-4-yl-methyl p-toluenesulfonate

Guidance literature:

3-(2-methyl-5-nitroimidazol-1-yl)propionic acid; With 1,1′-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

4-piperidylmethyl 4-methylbenzenesulfonate methanesulfonate; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.3390/molecules21121693

Reference yield: 64.0%

chloromethyl phenyl sulfone (7205-98-3) + 3-(2-methyl-5-nitroimidazol-1-yl)propionic acid (82553-75-1) → 2-methyl-4-phenylsulfonylmethyl-5-nitro-1-imidazole propionic acid (116248-43-2)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 0.25h;

upstream raw materials:

methyl 3-(2-methyl-5-nitro-1H-imidazol-1-yl)propanoate

Downstream raw materials:

2-methyl-4-phenylsulfonylmethyl-5-nitro-1-imidazole propionic acid

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