1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione

Base Information

• Chemical Name: 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione
• CAS No.: 1469-94-9
• Molecular Formula: C15H12O3
• Molecular Weight: 240.258
• Hs Code.: 29145090
• European Community (EC) Number: 624-939-6
• NSC Number: 631975,31881
• DSSTox Substance ID: DTXSID3061714
• Nikkaji Number: J421.572I
• Wikidata: Q27194455
• Mol file: 1469-94-9.mol

Synonyms:1469-94-9;1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione;o-Hydroxydibenzoylmethane;1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione;1,3-Propanedione, 1-(2-hydroxyphenyl)-3-phenyl-;2-Hydroxydibenzoylmethane;Benzoyl(2-hydroxybenzoyl)methane;1-(2-Hydroxylphenyl)-3-Phenyl-1,3-Propanedione;NSC 31881;NSC631975;NSC31881;TimTec1_005149;Oprea1_711319;SCHEMBL1548899;DTXSID3061714;Benzoyl (2-hydroxybenzoyl)methane;CHEBI:113559;2'-hydroxy-beta-oxodihydrochalcone;HMS1548K01;BAA46994;MFCD00043495;NSC-31881;STL570253;1, 1-(2-hydroxyphenyl)-3-phenyl-;AKOS001483395;CCG-103205;NSC-631975;AS-67569;CS-0446928;FT-0659127;C22066;1,3-Propanedione, 1-(o-hydroxyphenyl)-3-phenyl-;1,3-Propanedione,1-(2-hydroxyphenyl)-3-phenyl-;1-(2-hydroxyphenyl)-3-phenyl-propane-1,3-dione;A920492;SR-01000389612;J-008298;SR-01000389612-1;BRD-K95432622-001-03-8;Q27194455;1-(2-Hydroxyphenyl)-3-phenyl-1,3-propanedione, 98%

Chemical Property of 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 1.1E-07mmHg at 25°C
• Melting Point: 120-122 °C(lit.)
• Refractive Index: 1.61
• Boiling Point: 421 °C at 760 mmHg
• PKA: 7.80±0.30(Predicted)
• Flash Point: 222.6 °C
• PSA: 54.37000
• Density: 1.23 g/cm³
• LogP: 2.84790
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 305

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2O
• General Description: 1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE (H2L) is a β-diketonate ligand featuring an appended non-coordinating phenol group, capable of forming stable mononuclear complexes with Cu(II) and lanthanoid(III) ions. It exhibits bidentate chelating coordination, leading to distinct geometries: square-planar for Cu(II) and distorted square-antiprismatic for lanthanoid(III) complexes. The ligand's dual binding potential and strong hydrogen bonding interactions contribute to the formation of structurally diverse coordination compounds, making it a promising candidate for designing heterobimetallic polynuclear systems.

Technology Process of 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione

There total 40 articles about 1-(2-Hydroxyphenyl)-3-phenylpropane-1,3-dione 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: 96.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + benzoyl chloride (98-88-4) → 1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione (1469-94-9)

Guidance literature:

With sodium hydroxide; In chlorobenzene; for 0.0833333h; Irradiation;

Reference yield: 96.0%

2-acetylphenyl benzoate (4010-33-7) → 1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione (1469-94-9)

Guidance literature:

With sodium hydroxide; In methanol; for 2h; Irradiation;

Reference yield: 92.0%

1-[2-(tert-Butyl-dimethyl-silanyloxy)-phenyl]-3-phenyl-propane-1,3-dione (136003-86-6) → 1-(2-hydroxyphenyl)-3-phenyl-1,3-propanedione (1469-94-9)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃; for 0.75h;

DOI:10.1016/S0040-4020(01)87119-2

upstream raw materials:

FLAVONE

ethanol

2-acetylphenyl benzoate

potassium n-butoxide

Downstream raw materials:

2-phenyl-chroman-3,4-dione

2,2,4-Triphenyl-2H-benzopyran

FLAVONE

3-Phenyl-5-(2-hydroxyphenyl)isoxazole

Refernces

Copper(II) and lanthanoid(III) complexes of a new β-diketonate ligand with an appended non-coordinating phenol group

10.1016/j.poly.2008.11.025

The research focuses on synthesizing and characterizing new mononuclear compounds of the ligand 1-(2-hydroxyphenyl)-3-phenylpropane-1,3-dione (H2L) with Cu(II) and several lanthanoid(III) ions (Pr, Nd, Eu, Gd). The purpose is to explore the coordination chemistry of this new ligand, which has potential dual binding modes, and to study the resulting compounds' structures and properties. The key chemicals used include the ligand H2L, Cu(NO3)3?3H2O, Ln(NO3)3?6H2O (where Ln represents the lanthanoid ions), and triethylamine. The compounds were synthesized through reactions in methanol, yielding green or yellow crystalline materials. The results show that in all compounds, the ligand coordinates in a bidentate chelating manner. The Cu(II) complex exhibits a slightly distorted square-planar geometry with strong intramolecular hydrogen bonding. The lanthanoid(III) compounds have an eight-coordinated, distorted square-antiprismatic geometry and form a three-dimensional network through intermolecular hydrogen bonding. The study concludes that these compounds offer promising prospects for the development of heterobimetallic polynuclear compounds, and further research is ongoing to explore the coordination chemistry of the ligand with other metals.