3-(3-Hydroxyphenyl)-1-phenylprop-2-en-1-one

Base Information

• Chemical Name: 3-(3-Hydroxyphenyl)-1-phenylprop-2-en-1-one
• CAS No.: 81226-95-1
• Molecular Formula: C15H12 O2
• Molecular Weight: 224.259
• NSC Number: 247056
• Nikkaji Number: J2.104.660D,J544.065C
• ChEMBL ID: CHEMBL388322
• Mol file: 81226-95-1.mol

Synonyms:3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one;3-Hydroxychalcone;(E)-3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one;20426-49-7;81226-95-1;Chalcone, 2;3-hydroxy chalcone;NSC247056;3-Hydroxy-trans-chalcone;CHEMBL388322;SCHEMBL1524799;BDBM86003;FGLRWHNZUBAWJK-MDZDMXLPSA-N;MFCD00205550;1-Phenyl-3-m-hydroxyphenyl-propenone;AKOS002719605;NSC-247056;2-Propen-1-one, 3-(3-hydroxyphenyl)-1-phenyl-;(E)-3-(3-hydroxyphenyl)-1-phenyl-prop-2-en-1-one;(2E)-3-(3-Hydroxyphenyl)-1-phenyl-2-propen-1-one #

Chemical Property of 3-(3-Hydroxyphenyl)-1-phenylprop-2-en-1-one

Chemical Property:

• Vapor Pressure: 1.85E-07mmHg at 25°C
• Boiling Point: 414.5°Cat760mmHg
• Flash Point: 176.9°C
• Density: 1.191g/cm³
• 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: 277

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Hydroxyphenyl)-1-phenylprop-2-en-1-one

There total 6 articles about 3-(3-Hydroxyphenyl)-1-phenylprop-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: 94.1%

meta-hydroxybenzaldehyde (100-83-4) + acetophenone (98-86-2) → 1-phenyl-3-(3-hydroxyphenyl)-2-propen-1-one (81226-95-1,20426-49-7)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃;

DOI:10.1016/j.bmc.2010.03.051

Reference yield: 86.0%

(2S,3R)-2,3-Dibromo-3-(3-hydroxy-phenyl)-1-phenyl-propan-1-one → 3-hydroxychalcone (81226-95-1)

Guidance literature:

With indium; In methanol; acetonitrile; for 9h; Heating;

DOI:10.1039/a806530f

Reference yield: 82.0%

meta-hydroxybenzaldehyde (100-83-4) + acetophenone (98-86-2) → 3-hydroxychalcone (81226-95-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 0 ℃; for 10h;

DOI:10.1002/jhet.2583

upstream raw materials:

meta-hydroxybenzaldehyde

acetophenone

methyl (4-pyridyl) ketone

Downstream raw materials:

[2-(3-hydroxyphenyl)cyclopropyl]phenylmethanone

3-(3-hydroxyphenyl)-1-phenylpropan-1-one

[(1R,2R)-2-Benzoyl-3-(3-hydroxy-phenyl)-cyclopropyl]-phenyl-methanone

3-benzoyl-1-(3-hydroxyphenyl)propanol