1-(Phenylamino)propan-2-one

Base Information

• Chemical Name: 1-(Phenylamino)propan-2-one
• CAS No.: 4504-29-4
• Molecular Formula: C9H11NO
• Molecular Weight: 149.192
• DSSTox Substance ID: DTXSID70496496
• Mol file: 4504-29-4.mol

Synonyms:1-(phenylamino)propan-2-one;4504-29-4;acetonylaniline;1-Anilinopropan-2-one;SCHEMBL7175504;DTXSID70496496;AKOS006275791;EN300-794642

Chemical Property of 1-(Phenylamino)propan-2-one

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CNC1=CC=CC=C1

Technology Process of 1-(Phenylamino)propan-2-one

There total 16 articles about 1-(Phenylamino)propan-2-one 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: 88.0%

N-(2-methylthioallyl)aniline (122279-56-5) → 1-(phenylamino)propan-2-one (4504-29-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/P19890000553

Reference yield: 86.0%

aniline (62-53-3) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 1-(phenylamino)propan-2-one (4504-29-4)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; at 160 ℃; for 36h; Inert atmosphere; Sealed tube;

Reference yield: 79.0%

tert-butyl (2-oxopropyl)(phenyl)carbamate (1260085-97-9) → 1-(phenylamino)propan-2-one (4504-29-4)

Guidance literature:

With trimethylsilyl iodide; In dichloromethane; at -20 - 0 ℃; for 4.25h; chemoselective reaction;

DOI:10.1055/s-0030-1257938

upstream raw materials:

N-phenyl-N-prop-2-ynylamine

chloroacetone

aniline

1-bromoacetone

Downstream raw materials:

2-methyl-1-(phenylamino)propan-2-ol

(S)-1-[N-phenyl-N-(1-phenyl-2-propynyl)amino]-2-propanone

(E)-1-(1H-Indol-3-yl)-1-(phenylimino)propan-2-one

(Z)-1-(1H-Indol-3-yl)-1-(phenylimino)propan-2-one