N-(3-nitrophenyl)cyclopropanecarboxamide

Base Information

• Chemical Name: N-(3-nitrophenyl)cyclopropanecarboxamide
• CAS No.: 101946-39-8
• Molecular Formula: C10H10N2O3
• Molecular Weight: 206.201
• DSSTox Substance ID: DTXSID80351284
• Wikidata: Q82127580
• Mol file: 101946-39-8.mol

Synonyms:N-(3-nitrophenyl)cyclopropanecarboxamide;101946-39-8;Cyclopropanecarboxamide, N-(3-nitrophenyl)-;Oprea1_715406;SCHEMBL4230036;DTXSID80351284;VJRGOUPWHRPYKC-UHFFFAOYSA-N;STL455513;AKOS002256481;3'-NITRO-1-CYCLOPROPANECARBOXANILIDE;FT-0727458;SR-01000252988;SR-01000252988-1

Chemical Property of N-(3-nitrophenyl)cyclopropanecarboxamide

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.06914219
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Technology Process of N-(3-nitrophenyl)cyclopropanecarboxamide

There total 3 articles about N-(3-nitrophenyl)cyclopropanecarboxamide 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%

cyclopropanecarboxylic acid chloride (4023-34-1) + 3-nitro-aniline (99-09-2) → N-(3-nitrophenyl) cyclopropanecarboxamide (101946-39-8)

Guidance literature:

With potassium carbonate; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/ja0567485

Reference yield: 90.6%

3-nitro-N-phenylaniline (4531-79-7) + cyclopropanecarboxylic acid chloride (4023-34-1) → N-(3-nitrophenyl) cyclopropanecarboxamide (101946-39-8)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield: 38.0%

3-nitro-aniline (99-09-2) + cyclopropanecarboxylic acid (1759-53-1) → N-(3-nitrophenyl) cyclopropanecarboxamide (101946-39-8)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 25 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jm5009242

upstream raw materials:

cyclopropanecarboxylic acid chloride

3-nitro-aniline

3-nitro-N-phenylaniline

cyclopropanecarboxylic acid

Downstream raw materials:

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Aurora Kinase inhibitor III