1-(2-Hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione

Base Information

• Chemical Name: 1-(2-Hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
• CAS No.: 6297-64-9
• Molecular Formula: C13H10 O3 S
• Molecular Weight: 246.287
• NSC Number: 46068
• DSSTox Substance ID: DTXSID80286481
• Nikkaji Number: J2.204.313G
• Wikidata: Q82022224

Synonyms:1-(2-hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione;6297-64-9;HMS559E04;NSC46068;Maybridge1_006252;Oprea1_322191;DTXSID80286481;NSC-46068

Chemical Property of 1-(2-Hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione

Chemical Property:

• Vapor Pressure: 9.83E-09mmHg at 25°C
• Boiling Point: 450.5°Cat760mmHg
• Flash Point: 226.3°C
• Density: 1.332g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 246.03506535
• Heavy Atom Count: 17
• Complexity: 303

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=CS2)O

Technology Process of 1-(2-Hydroxyphenyl)-3-thiophen-2-ylpropane-1,3-dione

There total 7 articles about 1-(2-Hydroxyphenyl)-3-thiophen-2-ylpropane-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: 60.0%

Ethyl thiophene-2-carboxylate (2810-04-0) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 1-(2-hydroxyphenyl)-3-(thiophen-2-yl)propane-1,3-dione (6297-64-9)

Guidance literature:

With sodium hydride; In tetrahydrofuran; Reflux;

DOI:10.1039/c6gc00704j

Reference yield:

2-Thiophenecarbonyl chloride (5271-67-0) → 1-(2-hydroxyphenyl)-3-(thiophen-2-yl)propane-1,3-dione (6297-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / 20 °C

2.1: KOH / pyridine / 20 °C

2.2: AcOH

With pyridine; potassium hydroxide; In pyridine; 2.1: Baker-Venkataraman rearrangement;

DOI:10.1016/j.tetlet.2005.06.058

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 1-(2-hydroxyphenyl)-3-(thiophen-2-yl)propane-1,3-dione (6297-64-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: pyridine / 20 °C

2.1: KOH / pyridine / 20 °C

2.2: AcOH

With pyridine; potassium hydroxide; In pyridine; 2.1: Baker-Venkataraman rearrangement;

DOI:10.1016/j.tetlet.2005.06.058

upstream raw materials:

2-Thiophenecarbonyl chloride

o-hydroxyacetophenone

2-thiophenylcarboxylic acid

Ethyl thiophene-2-carboxylate

Downstream raw materials:

2-(2-thienyl)-4H-1-benzopyran-4-one

2-(thiophen-2-yl)-4H-chromene-4-thione

2-[3-oxo-3-(thiophen-2-yl)propanoyl]phenyl acetate

1-(2-hydroxyphenyl)-4-(thiophen-2-yl)butane-1,4-dione

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