138795-03-6

Basic information

• Product Name: N-(2-acetylphenyl)butanamide
• Synonyms: N-(2-acetylphenyl)butanamide
• CAS NO: 138795-03-6
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.253
• Mol File: 138795-03-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 386.8±25.0 °C(Predicted)
• Appearance: /
• Density: 1.097±0.06 g/cm3(Predicted)
• PKA: 14.56±0.70(Predicted)
• CAS DataBase Reference: N-(2-acetylphenyl)butanamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-acetylphenyl)butanamide(138795-03-6)
• EPA Substance Registry System: N-(2-acetylphenyl)butanamide(138795-03-6)

Safety Data

• Hazardous Substances Data: 138795-03-6(Hazardous Substances Data)

Upstream product

• 551-93-9 2-aminoacetophenone 
• 141-75-3 butyryl chloride 

Downstream Products

• 1452815-47-2 phenyl(2-propylquinazolin-4-yl)methanone 
• 1452815-48-3 (4-nitrophenyl)(2-propylquinazolin-4-yl)methanone 
• 83842-64-2 2-propyl-quinolin-4-ol 

Relevant articles and documents

2-substituted aniline as a simple scaffold for LuxR-regulated QS modulation

The ability of the 2-substituted aniline motif to serve as a scaffold for designing potential LuxR-regulated quorum sensing (QS) modulators has been investigated, using docking experiments and biological evaluation of a series of 15 specially synthesized compounds. Aniline, 2-acetyl-aniline and 2-nitroaniline were considered, as well as their N-acylated derivatives. Docking experiments showed that the 2-substituted aniline motif fits within the LuxR binding site at the place of the lactone moiety of AHL, and the biological evaluation revealed QS antagonisitic activity for several compounds, validating the hypothesis that this scaffold acts on QS. Structure activity relationships are discussed regarding interactions with the key residues of the LuxR binding site, showing significant variations in the H-bonding pattern.

Pd(0)-catalyzed benzylic arylation-oxidation of 4-methylquinazolines via sp3 C-H activation under air conditions

An efficient and selective Pd(0)-catalyzed sp3 C-H bond arylation-oxidation of 4-methylquinazolines is reported. The method enables the introduction of arylketone at the benzylic position of 4-methylquinazolines without the use of an additional directing group, and atmospheric oxygen is used as the sole oxidant.