2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide

Base Information

• Chemical Name: 2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide
• CAS No.: 299897-90-8
• Molecular Formula: C₁₁H₁₃N₃O₃
• Molecular Weight: 235.243
• DSSTox Substance ID: DTXSID60377482
• Wikidata: Q82166715
• Mol file: 299897-90-8.mol

Synonyms:2-nitro-5-(1-pyrrolidinyl)benzenecarboxamide;299897-90-8;2-nitro-5-(pyrrolidin-1-yl)benzamide;2-nitro-5-pyrrolidin-1-ylbenzamide;DTXSID60377482;MFCD03791248;AKOS005071315;9R-0263;J-510161

Chemical Property of 2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide

Chemical Property:

• Melting Point: 246-248°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 235.09569129
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)N

Technology Process of 2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide

There total 3 articles about 2-Nitro-5-(1-pyrrolidinyl)benzenecarboxamide 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: 88.0%

pyrrolidine (123-75-1) + 2-nitro-5-chlorobenzamide (40763-96-0) → 2-nitro-5-(pyrrolidin-1-yl)benzamide (299897-90-8)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; for 2.5h;

Reference yield: 86.0%

→ 2-nitro-5-(pyrrolidin-1-yl)benzamide (299897-90-8)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃;

Reference yield:

5-chloro-2-nitrobenzoyl chloride (41994-44-9) → 2-nitro-5-(pyrrolidin-1-yl)benzamide (299897-90-8)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃(g) / benzene / 20 °C

2: dimethylformamide / 3 h / 110 °C

With ammonia; In N,N-dimethyl-formamide; benzene;

DOI:10.1021/jm000151c

upstream raw materials:

pyrrolidine

2-nitro-5-chlorobenzamide

5-chloro-2-nitrobenzoyl chloride

Downstream raw materials:

2-amino-5-(pyrrolidin-1-yl)benzamide

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