29976-82-7

Basic information

• Product Name: 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE
• Synonyms: 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYLPROPANE-1,3-DIONE;1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE;1-(2-hydroxy-5-methylphenyl)-3-phenyl-1,3-propane;1-(2-HYDROXY-5-METHYLPHENYL)3-PHENYL-1,3-PROPANEDIONE 97%;1-(2-Hydroxy-5-methylphenyl)-3-phenyl-1,3-propanedione,97%;2-(2-Hydroxy-5-methylbenzoyl)acetophenone
• CAS NO: 29976-82-7
• Molecular Formula: C₁₆H₁₄O₃
• Molecular Weight: 254.28
• Product Categories: C15 to C38;Carbonyl Compounds;Ketones
• Mol File: 29976-82-7.mol
• Article Data: 18

Chemical Properties

• Melting Point: 92-94 °C(lit.)
• Boiling Point: 455.7°Cat760mmHg
• Flash Point: 243.5°C
• Appearance: /
• Density: 1.238g/cm³
• Vapor Pressure: 4.26E-09mmHg at 25°C
• Refractive Index: 1.639
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.97±0.43(Predicted)
• CAS DataBase Reference: 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE(29976-82-7)
• EPA Substance Registry System: 1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL-1,3-PROPANEDIONE(29976-82-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 29976-82-7(Hazardous Substances Data)

Usage

Chemical Properties

yellow crystalline powder or needles

InChI:InChI=1/C16H14O3/c1-11-7-8-14(17)13(9-11)16(19)10-15(18)12-5-3-2-4-6-12/h2-10,17-18H,1H3

Upstream product

• 67801-43-8 4-methylphenyl benzoylacetate 
• 1450-72-2 5-methyl-2-hydroxyacetophenone 
• 4010-19-9 1-(2-benzoyloxy-5-methylphenyl)-ethanone 
• 20718-17-6 2-(dimethyl(oxo)-λ⁶-sulfaneylidene)-1-phenylethan-1-one 
• 613-84-3 2-hydroxy-5-methylbenzaldehyde 
• 65-85-0 benzoic acid 
• 140-39-6 1-acetoxy-4-methylbenzene 
• 106-44-5 p-cresol 
• 98-88-4 benzoyl chloride 
• 110623-99-9 4-methylphenyl 3-(ethylenedioxy)-3-phenylpropanoate 
• 85892-91-7 2-(2-phenyl-1,3-dioxolan-2-yl)acetic acid 
• 94-02-0 ethyl 3-oxo-3-phenylpropionate 
• 27773-03-1 ethyl 3,3-(ethylenedioxy)-3-phenylpropanoate 
• 3245-23-6 p-ethylphenyl acetate 

Downstream Products

• 1350428-80-6 C₁₆H₁₁⁽²⁾H₃N₂O 
• 1350428-79-3 C₁₆H₁₃⁽²⁾HN₂O 
• 1343513-15-4 6-((diethylamino)methyl)-2-phenyl-4H-chromen-4-one 

Relevant articles and documents

Novel Bifunctionalization of Activated Methylene: Base-Promoted Trifluoromethylthiolation of β-Diketones with Trifluoromethanesulfinyl Chloride

A novel bifunctionalization of activated methylene was achieved successfully through the base-promoted trifluoromethylthiolation of β-diketones or β-ketoesters with trifluoromethanesulfinyl chloride. A series of α-trifluoromethylthiolated α-chloro-β-diketones and α-chloro-β-ketoesters were obtained in moderate to good yields under mild conditions. When β-diketones containing a phenyl group with a hydroxyl or amino substituent at the ortho position were used as substrates, intramolecular trifluoromethylthiolation/cyclization reaction took place to give the corresponding cyclic products. Furthermore, the protocol could be extended to perfluoroalkylthiolation with the sodium perfluoroalkanesulfinate/POCl3 system. On the basis of experimental results, plausible mechanisms are proposed.

Rational design for multicolor flavone-based fluorophores with aggregation-induced emission enhancement characteristics and applications in mitochondria-imaging

Fluorophores with aggregation-induced emission enhancement (AIEE) properties have attracted more attention in recent years. In order to realise more valuable applications, the different kinds of AIEE molecules are in serious need of further development. Therefore, a novel flavone-based AIEE system derived from restriction of intramolecular rotation (RIR) was designed and synthesized in this work. The results revealed that six of the compounds showed typical AIEE characteristics, with fluorescence emissions from purple, blue, cyan to green, tunable by changing substituent groups. This flavone-based AIEE system has never been reported before. The AIEE characteristics were investigated by optical spectroscopy, fluorescence photographs, scanning electron microscopy (SEM), fluorescence quantum yields (φF) and fluorescence lifetime in the CH3OH/H2O mixed solution. Moreover, benefiting from the simple structures and small molecular weight, they could permeate cells faster than current high-molecular-weight AIEE molecules. Furthermore, to examine possible biomedical applications, fluorescence imaging in living A549 lung cells and cell viabilities were examined, and the results displayed that these fluorophores showed good cellular uptake and low cytotoxicity within the experimental concentration range. In addition, these AIEE compounds possessed excellent specificity for mitochondrial targeting and mitochondrial morphological change tracking, besides, they displayed superior photostability, which indicated they are potential candidates for mitochondrial imaging.

Transition-Metal-Free Photoinduced Intramolecular Annulation of 2,3-Di(hetero)arylchromen-4-one

An efficient transition-metal-free photoinduced intracyclization of 4H-chromen-4-ones in EtOH-H2O (7:1, v/v) at ambient temperature for the construction of complicated fused-ring heteroaromatics is established. The reaction proceeds smoothly without requiring any catalysts/additives.