Benzeneethanamine, N-(benzoyloxy)-

Base Information

• Chemical Name: Benzeneethanamine, N-(benzoyloxy)-
• CAS No.: 69424-54-0
• Molecular Formula: C15H15NO2
• Molecular Weight: 241.29
• DSSTox Substance ID: DTXSID60444426
• Nikkaji Number: J910.872F
• Wikidata: Q82262559
• Mol file: 69424-54-0.mol

Synonyms:Benzeneethanamine, N-(benzoyloxy)-;69424-54-0;Benzoic acid phenethylamino ester;DTXSID60444426

Chemical Property of Benzeneethanamine, N-(benzoyloxy)-

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 241.110278721
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNOC(=O)C2=CC=CC=C2

Technology Process of Benzeneethanamine, N-(benzoyloxy)-

There total 2 articles about Benzeneethanamine, N-(benzoyloxy)- 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: 92.0%

phenethylamine (64-04-0) + dibenzoyl peroxide (94-36-0) → O-benzoyl-N-phenethylhydroxylamine (69424-54-0)

Guidance literature:

With water; caesium carbonate; In dichloromethane; at 20 ℃; for 16h;

DOI:10.1039/C8SC04996C

Reference yield: 73.0%

phenethylamine (64-04-0) + dibenzoyl peroxide (94-36-0) → N-phenethylbenzamide (3278-14-6) + O-benzoyl-N-phenethylhydroxylamine (69424-54-0)

Guidance literature:

With pH 10.5; In dichloromethane; water; Product distribution; Ambient temperature; various primary amines under different reaction conditions;

DOI:10.1021/jo971126q

Reference yield: 96.0%

2-oxo-3-(phenyl)propionic acid (156-06-9) + O-benzoyl-N-phenethylhydroxylamine (69424-54-0) → N-phenethyl-2-phenylacetamide (5460-60-6)

Guidance literature:

In water; tert-butyl alcohol; at 40 ℃; for 15h;

DOI:10.1021/jo800223j

upstream raw materials:

phenethylamine

dibenzoyl peroxide

Downstream raw materials:

N-ethyl-2-phenylethanamine

N-(2-phenylethyl)-N-(benzoyloxy)-N_α-Fmoc-L-leucinamide

N-(2-phenylethyl)-N-(benzoyloxy)-N_α-Fmoc-D-leucinamide

N-phenethylbenzamide

Refernces

• 1、 Davies, Jacob,Svejstrup, Thomas D.,Fernandez Reina, Daniel,Sheikh, Nadeem S.,Leonori, Daniele. "Visible-Light-Mediated Synthesis of Amidyl Radicals: Transition-Metal-Free Hydroamination and N-Arylation Reactions". supporting information. p. 8092 - 8095. Retrieved 2016/07/16.
• 2、 Wang, Lu,Phanstiel IV, Otto. "Synthesis of N-(hydroxy)amide- and N-(hydroxy)thioamide-containing peptides". . p. 1442 - 1447. Retrieved 2007/10/03.