1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone

Base Information

• Chemical Name: 1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone
• CAS No.: 7469-58-1
• Molecular Formula: Br*C₂₀H₂₃N₂O₄
• Molecular Weight: 435.318
• NSC Number: 401383
• DSSTox Substance ID: DTXSID10331211
• Wikidata: Q82096201
• ChEMBL ID: CHEMBL1871712
• Mol file: 7469-58-1.mol

Synonyms:NSC401383;7469-58-1;CHEMBL1871712;DTXSID10331211;NSC-401383;NCGC00184455-01

Chemical Property of 1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 355.16578222
• Heavy Atom Count: 26
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCC[N+]1(CCC2=CC=CC=C2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone

There total 3 articles about 1-(3-Nitrophenyl)-2-[4-(2-phenylethyl)morpholin-4-ium-4-yl]ethanone 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:

2-phenethyl iodide (17376-04-4) → 4-(3-nitro-phenacyl)-4-phenethyl-morpholinium; bromide (7469-58-1)

Guidance literature:

Multi-step reaction with 2 steps

2: CHCl₃

With chloroform;

DOI:10.1021/ja01152a503

Reference yield:

1-phenyl-2-bromoethane (103-63-9) → 4-(3-nitro-phenacyl)-4-phenethyl-morpholinium; bromide (7469-58-1)

Guidance literature:

Multi-step reaction with 2 steps

2: CHCl₃

With chloroform;

DOI:10.1021/ja01152a503

Reference yield:

N-(2-phenethyl)morpholine (46346-12-7) + 3'-nitro-2-bromoacetophenone (2227-64-7) → 4-(3-nitro-phenacyl)-4-phenethyl-morpholinium; bromide (7469-58-1)

Guidance literature:

With chloroform;

DOI:10.1021/ja01152a503

upstream raw materials:

N-(2-phenethyl)morpholine

3'-nitro-2-bromoacetophenone

2-phenethyl iodide

1-phenyl-2-bromoethane