N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide

Base Information

• Chemical Name: N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide
• CAS No.: 251643-21-7
• Molecular Formula: C₁₂H₁₇N₃O₃
• Molecular Weight: 251.285
• DSSTox Substance ID: DTXSID901229232
• ChEMBL ID: CHEMBL2143987
• Mol file: 251643-21-7.mol

Synonyms:Cambridge id 6430022;MLS000681462;CHEMBL2143987;DTXSID901229232;HMS2552E18;251643-21-7;SMR000269140;SR-01000234340;N-[2-(Dimethylamino)ethyl]-4-nitrobenzeneacetamide;SR-01000234340-1;N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide

Chemical Property of N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.12699141
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)CCNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide

There total 3 articles about N-[2-(dimethylamino)ethyl]-2-(4-nitrophenyl)acetamide 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:

N,N-dimethylethylenediamine (108-00-9) + 4-nitrophenylacetyl chloride (50434-36-1) → N-(N',N'-Dimethylaminoethyl) 4-nitrophenylacetamide (251643-21-7)

Guidance literature:

DOI:10.1021/ja01261a605

Reference yield:

N,N-dimethylethylenediamine (108-00-9) + C12H9N3O5 → N-(N',N'-Dimethylaminoethyl) 4-nitrophenylacetamide (251643-21-7)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1039/a904067f

Reference yield:

4-nitrobenzeneacetic acid (104-03-0) → N-(N',N'-Dimethylaminoethyl) 4-nitrophenylacetamide (251643-21-7)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylformamide / 0.17 h / 50 °C

2: dimethylformamide / 2 h / 20 °C

In N,N-dimethyl-formamide; 1: Substitution / 2: Acylation;

DOI:10.1039/a904067f

upstream raw materials:

N,N-dimethylethylenediamine

4-nitrophenylacetyl chloride

4-nitrobenzeneacetic acid

Downstream raw materials:

N-(N',N'-Dimethylaminoethyl) 4-aminophenylacetamide