4-Anilino-4-phenyl-2-butanone

Base Information

• Chemical Name: 4-Anilino-4-phenyl-2-butanone
• CAS No.: 728-99-4
• Molecular Formula: C16H17NO
• Molecular Weight: 239.317
• DSSTox Substance ID: DTXSID10425023
• Nikkaji Number: J1.674.668A
• Mol file: 728-99-4.mol

Synonyms:4-Anilino-4-phenyl-2-butanone;4-anilino-4-phenylbutan-2-one;728-99-4;CBDivE_002554;2-Butanone, 4-phenyl-4-(phenylamino)-;DTXSID10425023

Chemical Property of 4-Anilino-4-phenyl-2-butanone

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 239.131014166
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(C1=CC=CC=C1)NC2=CC=CC=C2

Technology Process of 4-Anilino-4-phenyl-2-butanone

There total 12 articles about 4-Anilino-4-phenyl-2-butanone 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: 96.0%

benzaldehyde (100-52-7) + aniline (62-53-3) + acetone (67-64-1) → 4-phenyl-4-(phenylamino)butan-2-one (728-99-4)

Guidance literature:

With choline chloride * 2ZnCl₂; In water; at 20 ℃; for 4h; Green chemistry;

DOI:10.1007/s10562-014-1471-6

Reference yield: 94.0%

aniline (62-53-3) + (E)-benzalacetone (1896-62-4) → 4-phenyl-4-(phenylamino)butan-2-one (728-99-4)

Guidance literature:

With zirconium tetrakis(dodecyl sulfate); In water; at 24 - 26 ℃; for 0.5h;

DOI:10.2174/157017809787003115

Reference yield: 82.0%

benzylidene phenylamine (538-51-2) + acetone (67-64-1) → 4-phenyl-4-(phenylamino)butan-2-one (728-99-4)

Guidance literature:

With 2,6-di-tert-butyl-pyridine; tris-(4-bromophenyl)aminium hexachloroantimonate; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/ol9027978

upstream raw materials:

aniline

(E)-benzalacetone

acetone

(E)-N-benzylidenebenzenamine

Downstream raw materials:

(2S,4S)-4-Phenyl-4-phenylamino-butan-2-ol

(2R,4S)-4-Phenyl-4-phenylamino-butan-2-ol

(E)-benzalacetone

2,4,6-tribromoaniline

Refernces

• 1、 -. "two chlorine two luxuriant titanium polyethylene and non-homogeneous catalytic synthesis of β-amino carbonyl compounds". Paragraph 0033; 0034; 0035; 0036. . Retrieved 2016/10/08.
• 2、 Wu, Ya,Wang, Xiu,Luo, Yanlong,Wang, Jing,Jian, Yajun,Sun, Huaming,Zhang, Guofang,Zhang, Weiqiang,Gao, Ziwei. "Solvent strategy for unleashing the Lewis acidity of titanocene dichloride for rapid Mannich reactions". . p. 15298 - 15303. Retrieved 2016/02/23.