15254-22-5

Basic information

• Product Name: trans-3-(2,5-dimethylbenzoyl)acrylic acid
• Synonyms: trans-3-(2,5-dimethylbenzoyl)acrylic acid
• CAS NO: 15254-22-5
• Molecular Formula: C₁₂H₁₂O₃
• Molecular Weight: 204.22
• Mol File: 15254-22-5.mol
• Article Data: 6

Chemical Properties

• Melting Point: 89-90 °C
• Boiling Point: 385.9±42.0 °C(Predicted)
• Appearance: /
• Density: 1.168±0.06 g/cm3(Predicted)
• PKA: 3.19±0.10(Predicted)
• CAS DataBase Reference: trans-3-(2,5-dimethylbenzoyl)acrylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: trans-3-(2,5-dimethylbenzoyl)acrylic acid(15254-22-5)
• EPA Substance Registry System: trans-3-(2,5-dimethylbenzoyl)acrylic acid(15254-22-5)

Safety Data

• Hazardous Substances Data: 15254-22-5(Hazardous Substances Data)

Upstream product

• 108-31-6 maleic anhydride 
• 106-42-3 para-xylene 

Downstream Products

• 105493-04-7 C₁₂H₁₁ClO₂ 
• 81353-16-4 (E)-4-(2,5-dimethylphenyl)-4-oxo-N-phenyl-2-butenamide 
• 81353-15-3 C₁₂H₁₁ClO₂ 
• 15308-14-2 (+/-)-3.4-dimethyl-6t-(2,5-dimethyl-benzoyl)-cyclohexene-⁽³⁾-carboxylic acid-(1r) 

Relevant articles and documents

Preparation method of benzoyl-containing acrylic acid podophyllotoxin ester derivative and application of benzoyl-containing acrylic acid podophyllotoxin ester derivative in tumor suppression

The invention discloses a benzenesulfonamide phenylacetic acid podophyllotoxin carboxylic ester derivative as well as a synthesis method and application thereof, belongs to the technical field of chemical pharmacy, and particularly relates to a podophyllotoxin derivative and application thereof in tumor inhibition. Corresponding benzenesulfonamide phenylacetic acid is connected with podophyllotoxin through a synthesis means to obtain corresponding ester derivatives, and in-vitro anti-tumor activity research shows that the podophyllotoxin carboxylic ester derivatives have very strong inhibitory activity on tumor cell strains.

Synthesis and biological activity evaluation of shikonin benzoylacrylic carboxylic ester derivatives

The invention belongs to the technical field of chemical pharmacy and specifically relates to shikonin derivatives and application thereof to tumor inhibition aspect. A synthesizing method is utilizedfor connecting corresponding benzoylacrylic derivative

4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields

Synthesis and anticholinesterase activity of 4-aryl-4-oxo-N-phenyl-2-aminylbutyramides, novel class of reversible, moderately potent cholinesterase inhibitors, are reported. Simple substituent variation on aroyl moiety changes anti-AChE activity for two orders of magnitude; also substitution and type of hetero(ali)cycle in position 2 of butanoic moiety govern AChE/BChE selectivity. The most potent compounds showed mixed-type inhibition, indicating their binding to free enzyme and enzyme-substrate complex. Alignment-independent 3D QSAR study on reported compounds, and compounds having similar potencies obtained from the literature, confirmed that alkyl substitution on aroyl moiety of molecules is requisite for inhibition activity. The presence of hydrophobic moiety at close distance from hydrogen bond acceptor has favorable influence on inhibition potency. Docking studies show that compounds probably bind in the middle of the AChE active site gorge, but are buried deeper inside BChE active site gorge, as a consequence of larger BChE gorge void.