1,3-Bis(2-hydroxyphenyl)propane-1,3-dione

Base Information

• Chemical Name: 1,3-Bis(2-hydroxyphenyl)propane-1,3-dione
• CAS No.: 53278-13-0
• Molecular Formula: C15H12O4
• Molecular Weight: 256.258
• DSSTox Substance ID: DTXSID30503599
• Nikkaji Number: J3.182.321H
• Wikidata: Q82357555
• Mol file: 53278-13-0.mol

Synonyms:1,3-Bis(2-hydroxyphenyl)propane-1,3-dione;53278-13-0;SCHEMBL598345;DTXSID30503599;1,3-bis-(2-hydroxyphenyl)-1,3-propanedione

Chemical Property of 1,3-Bis(2-hydroxyphenyl)propane-1,3-dione

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)CC(=O)C2=CC=CC=C2O)O

Technology Process of 1,3-Bis(2-hydroxyphenyl)propane-1,3-dione

There total 3 articles about 1,3-Bis(2-hydroxyphenyl)propane-1,3-dione 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:

o-hydroxyacetophenone (118-93-4,104809-67-8) + 2-hydroxy-benzoic acid ethyl ester (118-61-6) → 1,3-bis-(2-hydroxyphenyl)-1,3-propanedione (53278-13-0)

Guidance literature:

o-hydroxyacetophenone; 2-hydroxy-benzoic acid ethyl ester; With sodium hydride; In 5,5-dimethyl-1,3-cyclohexadiene; Reflux;

With hydrogenchloride;

DOI:10.1039/c3dt50429h

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) + methyl salicylate (119-36-8,8024-54-2) → 1,3-bis-(2-hydroxyphenyl)-1,3-propanedione (53278-13-0)

Guidance literature:

Multistep reaction; (i) NaH, MeOH, xylene, (ii) /BRN= 971516/;

DOI:10.1055/s-1974-23363

Reference yield:

→ 1,3-bis-(2-hydroxyphenyl)-1,3-propanedione (53278-13-0)

Guidance literature:

Acetophenon 4c, K2CO3;

DOI:10.1002/ardp.19743070706

upstream raw materials:

o-hydroxyacetophenone

methyl salicylate

2-hydroxy-benzoic acid ethyl ester

Downstream raw materials:

{Cr(1,3-bis(2-hydroxyphenyl)-1,3-propanedionate)3}

2'-hydroxyflavone

Al((HOC₆H₄CO)2CH)3