2'-Hydroxy-5'-methylchalcone

Base Information

• Chemical Name: 2'-Hydroxy-5'-methylchalcone
• CAS No.: 1775-98-0
• Molecular Formula: C₁₆H₁₄O₂
• Molecular Weight: 238.286
• NSC Number: 123794
• Nikkaji Number: J56.223H
• Metabolomics Workbench ID: 73738
• ChEMBL ID: CHEMBL1999124
• Mol file: 1775-98-0.mol

Synonyms:1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one;2'-Hydroxy-5'-methylchalcone;1775-98-0;(E)-1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one;CHEMBL1999124;2-Propen-1-one, 1-(2-hydroxy-5-methylphenyl)-3-phenyl-;NSC123794;1-(2-hydroxy-5-methylphenyl)-3-phenyl-2-propen-1-one;SCHEMBL5450210;BPAVQKLQOSHOPN-CSKARUKUSA-N;BDBM50440639;MFCD00270171;AKOS024286652;NSC 123794;NSC-123794;52923-33-8

Chemical Property of 2'-Hydroxy-5'-methylchalcone

Chemical Property:

• Vapor Pressure: 1.08E-07mmHg at 25°C
• Boiling Point: 421.2°Cat760mmHg
• Flash Point: 179.8°C
• PSA: 37.30000
• Density: 1.165g/cm³
• LogP: 3.59670
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.099379685
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

1-(2-HYDROXY-5-METHYLPHENYL)-3-PHENYL PROP-2-EN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=CC=C2
• Isomeric SMILES: CC1=CC(=C(C=C1)O)C(=O)/C=C/C2=CC=CC=C2

Technology Process of 2'-Hydroxy-5'-methylchalcone

There total 23 articles about 2'-Hydroxy-5'-methylchalcone 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: 80.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + benzaldehyde (100-52-7) → 2'-hydroxy-5'-methylchalcone (1775-98-0,52923-33-8)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 3h; Cooling;

Reference yield: 74.0%

4-methylphenyl cinnamate (99429-99-9,10519-07-0) → 2'-hydroxy-5'-methylchalcone (1775-98-0,52923-33-8)

Guidance literature:

With titanium tetrachloride; at 130 ℃; for 0.333333h; chemoselective reaction; Inert atmosphere; Sealed Tube; Neat (no solvent);

DOI:10.5012/bkcs.2011.32.1.65

Reference yield: 72.0%

5-methyl-2-hydroxyacetophenone (1450-72-2) + benzaldehyde (100-52-7) → (E)-1-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-en-1-one (1775-98-0,52923-33-8)

Guidance literature:

5-methyl-2-hydroxyacetophenone; benzaldehyde; With barium(II) hydroxide; In ethanol; for 0.333333h; Reflux;

With hydrogenchloride; In ethanol; water; Cooling with ice;

upstream raw materials:

2'-methoxy-5'-methyl-chalcone

p-methylanizole

cinnamoyl chloride

5-methyl-2-hydroxyacetophenone

Downstream raw materials:

6-methylflavanone

4-methyl-2-(5-phenyl-4,5-dihydro-isoxazol-3-yl)-phenol

2'-phenylacetyloxy-5'-methylchalcone

2-(1,5-diphenyl-4,5-dihydro-1H-pyrazol-3-yl)-4-methyl-phenol