1-(4-Benzylamino-phenyl)-ethanone

Base Information

• Chemical Name: 1-(4-Benzylamino-phenyl)-ethanone
• CAS No.: 59852-82-3
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• DSSTox Substance ID: DTXSID50433405
• Nikkaji Number: J1.757.171K
• ChEMBL ID: CHEMBL395434
• Mol file: 59852-82-3.mol

Synonyms:59852-82-3;1-(4-BENZYLAMINO-PHENYL)-ETHANONE;4'-(Benzylamino)acetophenone;CHEMBL395434;SCHEMBL5604560;1-(4-benzylaminophenyl)ethanone;DTXSID50433405;1-(4-(benzylamino)phenyl)ethanone;AKOS015967167;1-[4-(benzylamino)phenyl]ethan-1-one;1-[4-[(Phenylmethyl)amino]phenyl]ethanone

Chemical Property of 1-(4-Benzylamino-phenyl)-ethanone

Chemical Property:

• PSA: 29.10000
• LogP: 3.57430
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-BENZYLAMINO-PHENYL)-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2

Technology Process of 1-(4-Benzylamino-phenyl)-ethanone

There total 19 articles about 1-(4-Benzylamino-phenyl)-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: 100.0%

2-methyl-2-(4-N-benzylphenyl)-1,3-dithiane → p-(benzylamino)acetophenone (59852-82-3)

Guidance literature:

With ammonium iodide; dihydrogen peroxide; sodium dodecyl-sulfate; In water; at 20 ℃; for 0.5h; micellar medium;

DOI:10.1080/00397911.2010.502995

Reference yield: 99.0%

para-bromoacetophenone (99-90-1) + benzylamine (100-46-9) → p-(benzylamino)acetophenone (59852-82-3)

Guidance literature:

With potassium phosphate; copper(l) iodide; CVT-2537; In dimethyl sulfoxide; at 90 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol301135c

Reference yield: 97.0%

p-aminobenzophenone (99-92-3) + benzyl alcohol (100-51-6,185532-71-2) → p-(benzylamino)acetophenone (59852-82-3)

Guidance literature:

In o-xylene; at 150 ℃; for 30h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.jcat.2019.12.012

upstream raw materials:

1-(4-(benzylideneamino)phenyl)ethan-1-one

4-Iodoacetophenone

benzylamine

para-bromoacetophenone

Refernces

• 1、 -. "METHOD FOR PREPARING BENZYL AMINE COMPOUND". Page/Page column 0049-0050. . Retrieved 2021/08/06.
• 2、 Bauri, Somnath,Pandey, Vipin K.,Rit, Arnab. "Catalyst- And solvent-free efficient access to: N -alkylated amines via reductive amination using HBpin". supporting information. p. 3853 - 3857. Retrieved 2020/07/27.