2-(4-Nitrophenyl)ethanamine

Base Information

• Chemical Name: 2-(4-Nitrophenyl)ethanamine
• CAS No.: 24954-67-4
• Molecular Formula: C8H10 N2 O2
• Molecular Weight: 166.18
• Hs Code.: 2921499090
• NSC Number: 299559,21218
• UNII: SAS3H3GQM9
• DSSTox Substance ID: DTXSID70902562
• Nikkaji Number: J365.270J
• ChEMBL ID: CHEMBL502343
• Mol file: 24954-67-4.mol

Synonyms:4-nitrophenethylamine;para-nitrophenylethylamine

Chemical Property of 2-(4-Nitrophenyl)ethanamine

Chemical Property:

• Melting Point: 27 °C
• Boiling Point: 162 °C(Press: 14 Torr)
• PKA: 9.22±0.10(Predicted)
• PSA: 71.84000
• Density: 1.206±0.06 g/cm3(Predicted)
• LogP: 2.31950
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

97% ^*data from raw suppliers

2-(4-Nitrophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Nitrophenyl)ethanamine

There total 20 articles about 2-(4-Nitrophenyl)ethanamine 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: 91.0%

2-nitro-N-[2-(4-nitro-phenyl)-ethyl]-benzenesulfonamide → 2-(p-nitrophenyl)ethylamine (24954-67-4)

Guidance literature:

With potassium carbonate; thiophenol; In acetonitrile; at 50 ℃;

DOI:10.1039/b418168a

Reference yield: 75.0%

1-azido-2-(4'-nitrophenyl)ethane (70079-91-3) → 2-(p-nitrophenyl)ethylamine (24954-67-4)

Guidance literature:

With cerium(III) chloride; sodium iodide; In acetonitrile; for 24h; Heating;

DOI:10.1021/jo7024288

Reference yield: 74.0%

phenethylamine (64-04-0) → 2-(p-nitrophenyl)ethylamine (24954-67-4)

Guidance literature:

With hydrogenchloride; nitric acid; In water; at 20 ℃;

upstream raw materials:

N-<2-(4-nitrophenyl)ethyl>acetamide

N-benzylidene-2-phenylethanamine

phenethylamine

4-nitrobenzeneacetic acid

Downstream raw materials:

N-<2-(4-nitrophenyl)ethyl>phthalimide

4-chloro-1-hydroxy-[2]naphthoic acid-(4-nitro-phenethylamide)

p-Aminophenethylamine

N-<2-(4-nitrophenyl)ethyl>acetamide