4-chloro-N-(4-nitrophenyl)butanamide

Base Information

• Chemical Name: 4-chloro-N-(4-nitrophenyl)butanamide
• CAS No.: 82547-19-1
• Molecular Formula: C10H11ClN2O3
• Molecular Weight: 242.662
• DSSTox Substance ID: DTXSID80404567
• Wikidata: Q82208835

Synonyms:4-chloro-N-(4-nitrophenyl)butanamide;82547-19-1;Butanamide, 4-chloro-N-(4-nitrophenyl)-;SCHEMBL4746770;DTXSID80404567;MFCD01911515;AKOS002169327;CS-0294071;SR-01000025908;SR-01000025908-1;Z56764357

Chemical Property of 4-chloro-N-(4-nitrophenyl)butanamide

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.0458199
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=O)CCCCl)[N+](=O)[O-]

Technology Process of 4-chloro-N-(4-nitrophenyl)butanamide

There total 1 articles about 4-chloro-N-(4-nitrophenyl)butanamide 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: 93.4%

4-nitro-aniline (100-01-6,104810-17-5) + 4-Chlorobutanoyl chloride (4635-59-0) → N-(4'-nitrophenyl)-4-chlorobutanamide (82547-19-1)

Guidance literature:

DOI:10.1007/s00044-007-9050-7

Reference yield: 94.0%

N-(4'-nitrophenyl)-4-chlorobutanamide (82547-19-1) → 4-azido-N-(4-nitrophenyl)butyramide (1286232-05-0)

Guidance literature:

With sodium azide; In N,N-dimethyl-formamide; at 60 ℃; for 0.25h; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.01.088

Reference yield: 60.0%

pyrrolidine (123-75-1) + N-(4'-nitrophenyl)-4-chlorobutanamide (82547-19-1) → N-(4'-nitrophenyl)-4-(pyrrolidin-1-yl)butanamide (875924-09-7)

Guidance literature:

at 20 ℃; Neat (no solvent);

DOI:10.1021/jm801245v

upstream raw materials:

4-nitro-aniline

4-Chlorobutanoyl chloride

Downstream raw materials:

1-(4-nitrophenyl)pyrrolidin-2-one

N-(4'-nitrophenyl)-4-(pyrrolidin-1-yl)butanamide

N-(4-aminophenyl)-4-(pyrrolidin-1-yl)butanamide

C₂₈H₂₆N₂O₃P⁽¹⁺⁾*Cl^(1-)

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