2-(2-Thienyl)chromone

Base Information

• Chemical Name: 2-(2-Thienyl)chromone
• CAS No.: 6297-63-8
• Molecular Formula: C13H8 O2 S
• Molecular Weight: 228.27
• Hs Code.: 2934999090
• NSC Number: 46067
• DSSTox Substance ID: DTXSID80978834
• Nikkaji Number: J2.760.717I
• Wikidata: Q82964317
• ChEMBL ID: CHEMBL177387
• Mol file: 6297-63-8.mol

Synonyms:2-(2-Thienyl)chromone;6297-63-8;2-(thiophen-2-yl)-4H-chromen-4-one;NSC46067;Maybridge3_004965;Cambridge id 7065255;Oprea1_383821;Oprea1_729803;Chromone, 2-(2-thienyl)-;CHEMBL177387;SCHEMBL9391119;DTXSID80978834;FPRZYWRWYPZUQP-UHFFFAOYSA-N;BDBM150766;HMS1445B15;CCG-52296;NSC-46067;STK984240;AKOS000562239;2-(2-Thienyl)-4H-chromen-4-one #;IDI1_016352;NCGC00332106-01;4H-1-Benzopyran-4-one, 2,2-thienyl)-;2-(Thiophen-2-yl)-4H-1-benzopyran-4-one;2-(Thiophen-2-yl)-4H-chromen-4-one (3r);AB00303153-04;SR-01000641540-1

Chemical Property of 2-(2-Thienyl)chromone

Chemical Property:

• Vapor Pressure: 6.83E-06mmHg at 25°C
• Boiling Point: 377.3°C at 760 mmHg
• Flash Point: 182°C
• PSA: 58.45000
• Density: 1.352g/cm³
• LogP: 3.52150
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 228.02450067
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

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

Technology Process of 2-(2-Thienyl)chromone

There total 32 articles about 2-(2-Thienyl)chromone 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%

1-(2-acetoxyphenyl)-3-(2-thienyl)-2-propyn-1-one → 2-(2-thienyl)-4H-1-benzopyran-4-one (6297-63-8)

Guidance literature:

With piperazine; In acetonitrile; at 25 ℃; for 1.5h; Schlenk technique;

DOI:10.1016/j.molcata.2016.10.030

Reference yield: 94.0%

3-(2-thienyl)-1-(2-hydroxyphenyl)-2-propen-1-one (119271-85-1,2875-22-1) → 2-(2-thienyl)-4H-1-benzopyran-4-one (6297-63-8)

Guidance literature:

With copper(l) iodide; oxygen; at 50 ℃; for 48h; under 760.051 Torr; Ionic liquid;

DOI:10.1039/c1ob06209c

Reference yield: 91.0%

1-(2-hydroxyphenyl)-3-(thiophen-2-yl)propane-1,3-dione (6297-64-9) → 2-(2-thienyl)-4H-1-benzopyran-4-one (6297-63-8)

Guidance literature:

With water; at 110 - 115 ℃; for 2h;

DOI:10.1515/HC.2010.16.2-3.151

upstream raw materials:

2-ethynyl-thiophene

2-Iodophenol

carbon monoxide

1-Heptyne

Refernces

• 1、 Chang, Meng-Yang,Tsai, Min-Chen,Lin, Chun-Yi. "A novel one-pot synthesis of flavones". . p. 11655 - 11662. Retrieved 2021/03/31.
• 2、 Alsarraf, Jér?me,Legault, Jean,Mihoub, Mouadh,Pichette, André,St-Gelais, Alexis. "On the role of the vinylsulfoxide side chain of dirchromone towards its bioactivities". supporting information. p. 9700 - 9705. Retrieved 2020/12/28.