3-(4-Hydroxy-phenyl)-1-phenyl-prop-2-en-1-one

Base Information

• Chemical Name: 3-(4-Hydroxy-phenyl)-1-phenyl-prop-2-en-1-one
• CAS No.: 20426-12-4
• Molecular Formula: C₁₅H₁₂O₂
• Molecular Weight: 224.259
• Hs Code.: 29144090
• DSSTox Substance ID: DTXSID60860248
• Mol file: 20426-12-4.mol

Synonyms:3-(4-hydroxy-phenyl)-1-phenyl-prop-2-en-1-one;4-Hydroxybenzal-acetophenon;DTXSID60860248;AKOS016038552;LS-188497;FT-0618708;FT-0618709;D90982

Chemical Property of 3-(4-Hydroxy-phenyl)-1-phenyl-prop-2-en-1-one

Chemical Property:

• Appearance/Colour: yellow powder
• Vapor Pressure: 8.41E-07mmHg at 25°C
• Melting Point: 180-184 °C
• Refractive Index: 1.653
• Boiling Point: 394.9 °C at 760 mmHg
• PKA: 9.76±0.26(Predicted)
• Flash Point: 168.6 °C
• PSA: 37.30000
• Density: 1.191 g/cm³
• LogP: 3.28830
• Water Solubility.: Insoluble in water.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.083729621
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

98% ^*data from raw suppliers

4-Hydroxychalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O
• Uses: anti-angiogenesis, antineoplastic 4-Hydroxychalcone is used as anti-angiogenesis, antineoplastic. It is also used as organic intermediates.

Technology Process of 3-(4-Hydroxy-phenyl)-1-phenyl-prop-2-en-1-one

There total 23 articles about 3-(4-Hydroxy-phenyl)-1-phenyl-prop-2-en-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: 100.0%

trans-4-methoxychalcone (22252-15-9) → (E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one (20426-12-4,38239-55-3)

Guidance literature:

With calcium hydride; diphenyldisulfane; In 1-methyl-pyrrolidin-2-one; at 220 ℃; for 0.5h;

DOI:10.1016/j.tet.2006.02.013

Reference yield: 95.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + acetophenone (98-86-2) → (E)-3-(4-hydroxyphenyl)-1-phenyl-2-propen-1-one (20426-12-4,38239-55-3)

Guidance literature:

In neat (no solvent); at 50 ℃; for 0.333333h; chemoselective reaction; Milling; Green chemistry;

DOI:10.4067/S0717-97072013000300029

Reference yield: 95.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + acetophenone (98-86-2) → 4-hydroxychalcone (38239-55-3,20426-12-4)

Guidance literature:

With nano-TiO₂-SO₃H; at 70 ℃; for 1h;

DOI:10.1016/j.catcom.2014.07.002

upstream raw materials:

4-hydroxy-benzaldehyde

acetophenone

methyl (4-pyridyl) ketone

4-methoxymethoxy-benzaldehyde

Downstream raw materials:

1-(4-Carboxy-phenyl)-4-(4-hydroxy-phenyl)-2-phenyl-5,6,7,8-tetrahydro-quinolinium; chloride

4-(1,3-diphenyl-4,5-dihydro-1H-pyrazol-5-yl)phenol

Acetic acid (2S,3R,4S,5R,6R)-3-acetoxy-6-acetoxymethyl-2-[4-((E)-3-oxo-3-phenyl-propenyl)-phenoxy]-5-((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-4-yl ester

Acetic acid (2S,3R,4S,5R,6R)-4,5-diacetoxy-6-acetoxymethyl-2-[4-((E)-3-oxo-3-phenyl-propenyl)-phenoxy]-tetrahydro-pyran-3-yl ester