3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one

Base Information

• Chemical Name: 3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one
• CAS No.: 91805-20-8
• Molecular Formula: C₁₃H₈O₃S
• Molecular Weight: 244.271
• NSC Number: 78630
• DSSTox Substance ID: DTXSID40291839
• Nikkaji Number: J1.051.508D
• Wikidata: Q82029905
• ChEMBL ID: CHEMBL1489358

Synonyms:3-hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one;91805-20-8;MLS000097140;3-hydroxy-2-(2-thienyl)-4H-chromen-4-one;SMR000076670;3-hydroxy-2-thiophen-2-ylchromen-4-one;NSC78630;NCIOpen2_004409;cid_254340;SCHEMBL5246464;CHEMBL1489358;REGID_for_CID_254340;BDBM57014;DTXSID40291839;3-hydroxy-2-(2-thienyl)chromone;HMS1631D11;HMS2402G11;NSC-78630;3-oxidanyl-2-thiophen-2-yl-chromen-4-one;3-Hydroxy-2-(thiophen-2-yl)-chromen-4-one;3-hydroxy-2-thiophen-2-yl-1-benzopyran-4-one

Chemical Property of 3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one

Chemical Property:

• Vapor Pressure: 2.77E-07mmHg at 25°C
• Boiling Point: 404.9°C at 760 mmHg
• Flash Point: 198.7°C
• Density: 1.491g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.01941529
• Heavy Atom Count: 17
• Complexity: 364

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=CS3)O

Technology Process of 3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one

There total 8 articles about 3-Hydroxy-2-(thiophen-2-yl)-4h-chromen-4-one 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: 97.0%

benzyl 4-oxo-2-thiophen-2-yl-4H-chromen-3-yl carbonate (1332744-83-8) → 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (91805-20-8)

Guidance literature:

With ammonium hydroxide; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1055/s-0030-1260034

Reference yield: 95.0%

(E) -1-(2-hydroxyphenyl)-3-(thiophen-2-yl)prop-2-en-3-one (2875-22-1,119271-85-1) → 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (91805-20-8)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In methanol; for 0.333333h;

Reference yield: 78.0%

3-(2-thienyl)-1-(2-hydroxyphenyl)-2-propen-1-one (119271-85-1,2875-22-1) → 3-hydroxy-2-(thiophene-2-yl)-4H-chromen-4-one (91805-20-8)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In methanol; at 0 ℃; for 5h;

upstream raw materials:

2-bromo-3-hydroxychromone

benzyl 4-oxo-2-thiophen-2-yl-4H-chromen-3-yl carbonate

benzyl 2-bromo-4-oxo-4H-chromen-3-yl carbonate

thiophene-2-carbaldehyde

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