2-(2-Chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

Base Information

• Chemical Name: 2-(2-Chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone
• CAS No.: 328020-19-5
• Molecular Formula: C₁₄H₁₁ClO₄
• Molecular Weight: 278.692
• NSC Number: 731312
• DSSTox Substance ID: DTXSID10387738
• Wikidata: Q82182179
• ChEMBL ID: CHEMBL3109028
• Mol file: 328020-19-5.mol

Synonyms:2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone;328020-19-5;CHEMBL3109028;DTXSID10387738;BDBM50467452;NSC731312;NSC-731312

Chemical Property of 2-(2-Chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 278.0345865
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(2-Chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone

There total 1 articles about 2-(2-Chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone 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: 50.0%

2'-chloro-benzeneacetic acid (2444-36-2) + 2-hydroxyresorcinol (87-66-1) → 2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (328020-19-5)

Guidance literature:

With boron trifluoride diethyl etherate; at 120 ℃; for 0.166667h;

DOI:10.1271/bbb.80532

Reference yield: 45.0%

2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (328020-19-5) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 3-(2-chlorophenyl)-7,8-dihydroxy-4H-chromen-4-one

Guidance literature:

In N,N-dimethyl-formamide; toluene; for 6h; Reflux;

DOI:10.1016/j.ejmech.2018.09.002

Reference yield:

2-(2-chlorophenyl)-1-(2,3,4-trihydroxyphenyl)ethanone (328020-19-5) → 4-(4-(2-chlorophenyl)-1H-pyrazol-3-yl)benzene-1,2,3-triol

Guidance literature:

Multi-step reaction with 2 steps

1: toluene; N,N-dimethyl-formamide / 6 h / Reflux

2: hydrazine hydrate / tetrahydrofuran / 6 h / Reflux

With hydrazine hydrate; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;

DOI:10.1016/j.ejmech.2018.09.002

upstream raw materials:

2'-chloro-benzeneacetic acid

2-hydroxyresorcinol