1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione

Base Information

• Chemical Name: 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione
• CAS No.: 328925-64-0
• Molecular Formula: C₁₅H₁₀BrClO₃
• Molecular Weight: 353.6
• DSSTox Substance ID: DTXSID30526046
• Wikidata: Q82394164
• Mol file: 328925-64-0.mol

Synonyms:328925-64-0;1-(5-BROMO-2-HYDROXYPHENYL)-3-(4-CHLOROPHENYL)-1,3-PROPANEDIONE;DTXSID30526046;1-(5-bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)propane-1,3-dione

Chemical Property of 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione

Chemical Property:

• PSA: 54.37000
• LogP: 4.26380
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 351.95018
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

1-(5-BROMO-2-HYDROXYPHENYL)-3-(4-CHLOROPHENYL)PROPANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=CC(=C2)Br)O)Cl

Technology Process of 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione

There total 1 articles about 1-(5-Bromo-2-hydroxyphenyl)-3-(4-chlorophenyl)-1,3-propanedione 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:

5-Bromo-2-hydroxyacetophenone (1450-75-5) + 4-chloro-benzoyl chloride (122-01-0) → 1-(2'-hydroxy-5'-bromophenyl)-3-(4'-chlorophenyl)-1,3-propandione (328925-64-0)

Guidance literature:

With pyridine; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 80 ℃; for 16h;

DOI:10.1016/j.bmcl.2007.11.081

Reference yield: 72.0%

1-(2'-hydroxy-5'-bromophenyl)-3-(4'-chlorophenyl)-1,3-propandione (328925-64-0) → C15H7Br2ClO2 (1421324-73-3)

Guidance literature:

With bromine; In N,N-dimethyl-formamide; Reflux;

DOI:10.13005/ojc/280351

upstream raw materials:

5-Bromo-2-hydroxyacetophenone

4-chloro-benzoyl chloride

Downstream raw materials:

C₁₅H₇Br₂ClO₂