1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-

Base Information

• Chemical Name: 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-
• CAS No.: 86383-39-3
• Molecular Formula: C17H18O4
• Molecular Weight: 286.328
• DSSTox Substance ID: DTXSID30434637
• Nikkaji Number: J495.282K
• Mol file: 86383-39-3.mol

Synonyms:86383-39-3;1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-;3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one;2'-hydroxy-3,4-dimethoxydihydrochalcone;SCHEMBL10829624;DTXSID30434637;CS-0148820;E81941;1-(2-Hydroxyphenyl)-3-(3,4-dimethoxyphenyl)propan-1-one

Chemical Property of 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-

Chemical Property:

• Melting Point: 92 °C(Solv: ethanol (64-17-5))
• Boiling Point: 440.5±40.0 °C(Predicted)
• PSA: 55.76000
• Density: 1.170±0.06 g/cm3(Predicted)
• LogP: 3.22490
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 286.12050905
• Heavy Atom Count: 21
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCC(=O)C2=CC=CC=C2O)OC
• Uses: 3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one is an intermediate for the synthesis of dTAG-7 (D710015), which is a degradation tag, was tested for its efficiency at depleting FKBP12F36V -MELK(sg3R) and was found to have significantly degraded FKBP12F36V -MELK(sg3R) within 4 hours.Used in the study of cancer research.

Technology Process of 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)-

There total 6 articles about 1-Propanone, 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)- 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: 91.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + (3,4-dimethoxyphenyl)methanol (93-03-8) → 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one (86383-39-3)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide; In tert-Amyl alcohol; at 110 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tetlet.2017.10.024

Reference yield: 65.0%

(E)-2'-hydroxy-3,4-dimethoxychalcone (19152-36-4,79140-20-8) → 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one (86383-39-3)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In 1,4-dioxane; methanol; at 5 - 10 ℃;

DOI:10.1080/00397919208019098

Reference yield:

2'-hydroxy-3,4-dimethoxychalcone (79140-20-8,19152-36-4) → 3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)propan-1-one (86383-39-3)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In tetrahydrofuran; methanol; for 1.5h; Reflux;

DOI:10.1016/j.bmcl.2017.10.026

upstream raw materials:

(E)-2'-hydroxy-3,4-dimethoxychalcone

o-hydroxyacetophenone

3,4-dimethoxy-benzaldehyde

(3,4-dimethoxyphenyl)methanol

Downstream raw materials:

3’,4’-dimethoxyhomoisoflavone

3',4'-dimethoxy-3-benzyl-4-chromanone

3',4'-dimethoxyflavone

3',4'-dimethoxyflavanone