51477-10-2

Basic information

• Product Name: (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one
• Synonyms: (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one
• CAS NO: 51477-10-2
• Molecular Formula: C₁₆H₁₃BrO
• Molecular Weight: 301.18
• Mol File: 51477-10-2.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 416.4°C at 760 mmHg
• Flash Point: 70°C
• Appearance: /
• Density: 1.354g/cm³
• Vapor Pressure: 3.82E-07mmHg at 25°C
• Refractive Index: 1.635
• CAS DataBase Reference: (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one(51477-10-2)
• EPA Substance Registry System: (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one(51477-10-2)

Safety Data

• Hazardous Substances Data: 51477-10-2(Hazardous Substances Data)

Usage

Description

(E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one is a chalcone derivative with a molecular formula C15H11BrO. It is a yellow solid with a melting point of around 94-97°C. (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one has potential biological activities and is being studied in the field of medicinal chemistry for its potential as a drug candidate. (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one's structure contains a conjugated system with a keto group, making it a candidate for synthetic anti-tumor and anti-inflammatory agents. Its chemical properties and potential biological activities make it an interesting subject for further research and development.

Uses

Used in Pharmaceutical Industry:
(E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one is used as a potential drug candidate for its potential anti-tumor and anti-inflammatory properties. (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one's conjugated system with a keto group makes it a promising candidate for the development of synthetic agents in the pharmaceutical industry.
Used in Medicinal Chemistry Research:
(E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one is used as a subject of study in medicinal chemistry to explore its potential biological activities and its application as a drug candidate. (E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one's unique structure and properties make it an interesting area of research for the development of new therapeutic agents.
Used in Chemical Synthesis:
(E)-1-(4-bromophenyl)-3-(4-methylphenyl)prop-2-en-1-one is used as a starting material or intermediate in the synthesis of various chemical compounds, particularly those with potential applications in the pharmaceutical and medicinal chemistry fields. Its unique structure and reactivity make it a valuable component in the development of new synthetic pathways and products.

InChI:InChI=1/C16H13BrO/c1-12-2-4-13(5-3-12)6-11-16(18)14-7-9-15(17)10-8-14/h2-11H,1H3/b11-6+

Upstream product

• 1122-91-4 4-bromo-benzaldehyde 
• 766-97-2 4-n-methylphenylacetylene 
• 122-00-9 para-methylacetophenone 
• 589-18-4 4-Methylbenzyl alcohol 
• 5391-88-8 1-(4-bromophenyl)ethanol 
• 104-87-0 4-methyl-benzaldehyde 
• 99-90-1 para-bromoacetophenone 

Downstream Products

• 128883-53-4 6-(4-chlorophenyl)-2-oxo-4-(4-tolyl)-1,2,3,4-tetrahydro-3-pyridinecarboxamide 
• 115665-34-4 (4S,5R)-5-(4-Bromo-benzoyl)-1-(4-bromo-phenyl)-4-(4-methoxy-phenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester 
• 127612-47-9 2-(4-bromobenzoyl)-1-(4-bromophenyl)-4-carboethoxy-4-cyano-3,5-di-(4-tolyl) cyclohexanol 
• 942029-62-1 C₂₅H₁₇BrO₃ 
• 88521-99-7 1-(4-hydroxyphenyl)-3-(p-tolyl)-2-propen-1-one 

Relevant articles and documents

Efficient base-free asymmetric one-pot synthesis of spiro[indoline-3,3′-pyrrolizin]-2-one derivatives catalyzed by chiral organocatalyst

A 1,3-dipolar cycloaddition reaction has been performed under organocatalytic conditions with high enantioselectivity by the utilization of bipyridine-based chiral quaternary ammonium bromide as an organocatalyst. Here, the reaction of 1,3-dipolar cycloaddition of azomethine ylide generated in situ from the decarboxylative condensation of α-amino acids and non-enolizable 1,2-diketones to the above dipolarophiles takes place.

Lewis acid catalyst system for Claisen-Schmidt reaction under solvent free condition

Ca(OTf)2 in combination with NBu4.BF4 was established to function as an efficient catalyst system for one-pot Claisen-Schmidt condensation under neat conditions. Substituted acetophenones and benzaldehydes were coupled in situ to afford their corresponding chalcones in excellent yields. The method, with a broad range of substrate tolerance and mild operational conditions can produce assorted chalcone derivatives in moderate to high yields from easily accessible starting materials.

Synthesis and bioevaluation of thienopyrimidines bearing a pyrazoline unit as selective PI3Kα inhibitors

A series of thienopyrimidines containing a pyrazoline unit (4a-d, 7a-d and 13a-l) were designed and synthesized. The target compounds were evaluated for antiproliferative activity against A549, HepG2 and MCF-7 cancer cell lines. Among the twenty target compounds, most of them exhibited excellent antiproliferative activity against one or several cancer cell lines. Compound 13f showed the best activity against A549, MCF-7 and HepG2 cancer cell lines, with IC50 values of 2.84 ± 0.09 μM, 2.88 ± 0.43 μM and 2.08 ± 0.36 μM, respectively. Four selected compounds (13c, 13f, 13g and 13h) were further evaluated for their inhibitory activity against the PI3Kα/mTOR protein kinase. Moreover, time-dependent and dose-dependent experiments, AO fluorescence staining, Annexin V-FITC/PI staining and docking studies were carried out in this study. The results indicated that compound 13f may be a potential selective PI3Kα inhibitor.