1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Base Information

• Chemical Name: 1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
• CAS No.: 13323-66-5
• Molecular Formula: C₁₅H₁₂O₃
• Molecular Weight: 240.258
• Hs Code.: 2914501900
• NSC Number: 73255
• Nikkaji Number: J120.920E,J1.377.170G
• Wikidata: Q63392792
• Metabolomics Workbench ID: 73685
• ChEMBL ID: CHEMBL126804
• Mol file: 13323-66-5.mol

Synonyms:13323-66-5;2',4-Dihydroxychalcone;1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one;(E)-1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one;2-PROPEN-1-ONE, 1-(2-HYDROXYPHENYL)-3-(4-HYDROXYPHENYL)-;Acrylophenone, 2'-hydroxy-3-(p-hydroxyphenyl)-;CHEMBL126804;4,2'-DIHYDROXYCHALCONE;(2E)-1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;Chalcone 3;NSC73255;ST072640;2/',4-Dihydroxychalcone;BSPBio_003308;Chalcone, 2',4-dihydroxy-;SPECTRUM1505141;(E)-2',4-Dihydroxychalcone;FGPJTMCJNPRZGF-JXMROGBWSA-N;BDBM50042978;MFCD00017716;NSC 73255;NSC-73255;AKOS016009680;CCG-214400;NCGC00096017-01;NCGC00096017-02;BS-50915;PD000603;LS-123927;PH-011685;3-(4-Hydroxy-phenyl)-1-(2-hydroxy-phenyl)-propenone;Q63392792;(E)-3-(4-hydroxyphenyl)-1-(2-hydroxyphenyl)-2-propen-1-one

Chemical Property of 1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Chemical Property:

• Vapor Pressure: 1.49E-08mmHg at 25°C
• Melting Point: 167 °C(Solv: ethanol (64-17-5))
• Boiling Point: 445.5°C at 760 mmHg
• PKA: 7.72±0.30(Predicted)
• Flash Point: 237.4°C
• PSA: 57.53000
• Density: 1.286g/cm³
• LogP: 2.99390
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 240.078644241
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)O)O
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O

Technology Process of 1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

There total 31 articles about 1-(2-Hydroxyphenyl)-3-(4-hydroxyphenyl)-2-propen-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%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 2',4-dihydroxychalcone (34000-31-2,13323-66-5)

Guidance literature:

o-hydroxyacetophenone; With sodium hydroxide; In ethanol; water; at 0 - 5 ℃;

4-hydroxy-benzaldehyde; In ethanol; water;

DOI:10.2174/1570180815666180209151516

Reference yield: 100.0%

C21H24O3 → 2',4-dihydroxychalcone (34000-31-2,13323-66-5)

Guidance literature:

With boron trichloride; In dichloromethane; at 0 ℃;

DOI:10.3390/molecules18022052 DOI:10.3390/molecules200712512

Reference yield: 98.0%

2'-hydroxy-4-(tetrahydropyran-2-yloxy)chalcone → 2',4-dihydroxychalcone (34000-31-2,13323-66-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 2h;

DOI:10.1055/s-0030-1258140

upstream raw materials:

o-hydroxyacetophenone

4-hydroxy-benzaldehyde

(E)-1-(2-Hydroxy-phenyl)-3-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-propenone

4-methoxymethoxy-benzaldehyde

Downstream raw materials:

(2Z)-2-[(4-hydroxyphenyl)methylidene]benzofuran-3-one

2-(4-hydroxyphenyl)chroman-4-one

4'-hydroxyflavone

1-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propane