3-(2-Hydroxyphenyl)-1-phenylpropan-1-one

Base Information

• Chemical Name: 3-(2-Hydroxyphenyl)-1-phenylpropan-1-one
• CAS No.: 56052-53-0
• Molecular Formula: C15H14 O2
• Molecular Weight: 226.275
• European Community (EC) Number: 259-969-5
• DSSTox Substance ID: DTXSID80204605
• Nikkaji Number: J122.346A
• Wikidata: Q83078046
• ChEMBL ID: CHEMBL446876
• Mol file: 56052-53-0.mol

Synonyms:3-(2-Hydroxyphenyl)-1-phenylpropan-1-one;56052-53-0;EINECS 259-969-5;1-Propanone, 3-(2-hydroxyphenyl)-1-phenyl-;2-Hydroxy-Dihydrochalcone;CHEMBL446876;SCHEMBL13026690;DTXSID80204605;2-Hydroxy-alpha,beta-dihydrochalcone;AKOS022422099;3-(2-Hydroxyphenyl)-1-phenyl-1-propanone #

Chemical Property of 3-(2-Hydroxyphenyl)-1-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 4.66E-07mmHg at 25°C
• Melting Point: 154-156 °C
• Boiling Point: 402.6°C at 760 mmHg
• PKA: 10.17±0.30(Predicted)
• Flash Point: 171.9°C
• PSA: 37.30000
• Density: 1.15g/cm³
• LogP: 3.20770
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC2=CC=CC=C2O

Technology Process of 3-(2-Hydroxyphenyl)-1-phenylpropan-1-one

There total 30 articles about 3-(2-Hydroxyphenyl)-1-phenylpropan-1-one 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: 88.0%

2-Iodophenol (533-58-4) + 1-Phenyl-2-propen-1-ol (4393-06-0) → C15H14O2 (1068658-06-9) + 3-(2-hydroxy-phenyl)-1-phenyl-propan-1-one (56052-53-0)

Guidance literature:

With N-Methyldicyclohexylamine; t-BuXPhos palladacycle Gen 2; In toluene; at 100 ℃; for 1h; Reagent/catalyst; Inert atmosphere;

DOI:10.1055/s-0036-1588075

Reference yield: 75.0%

2-phenylchromene (93514-42-2,6053-99-2) → 3-(2-hydroxy-phenyl)-1-phenyl-propan-1-one (56052-53-0)

Guidance literature:

With chloroauric acid; water; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2012.08.117

Reference yield: 61.0%

2-Iodophenol (533-58-4) + 1-Phenyl-2-propen-1-ol (4393-06-0) → 3-(2-hydroxy-phenyl)-1-phenyl-propan-1-one (56052-53-0)

Guidance literature:

With caesium carbonate; palladium diacetate; In acetonitrile; at 100 ℃; for 24h;

DOI:10.1021/jo034936c

upstream raw materials:

2-hydroxychalcone

2-ethoxyflavan

acetophenone

2-phenyl-4H-benzo-1,3,2-dioxaborine

Downstream raw materials:

flavan

(R)-3,4-dihydro-2-phenyl-2H-1-benzopyran

3-(2-hydroxyphenyl)-1-phenyl-1-propanol

C₁₅H₁₂O₂

Refernces

• 1、 Song, Tao,Duan, Yanan,Yang, Yong. "Chemoselective transfer hydrogenation of Α,Β-unsaturated carbonyls catalyzed by a reusable supported Pd nanoparticles on biomass-derived carbon". . p. 80 - 85. Retrieved 2019/01/03.
• 2、 Jia, Wenqiang,Xi, Qiumu,Liu, Tianqi,Yang, Minjian,Chen, Yonghui,Yin, Dali,Wang, Xiaojian. "One-Pot Synthesis of O-Heterocycles or Aryl Ketones Using an InCl3/Et3SiH System by Switching the Solvent". . p. 5141 - 5149. Retrieved 2019/05/10.