1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide

Base Information

• Chemical Name: 1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide
• CAS No.: 7465-65-8
• Molecular Formula: C11H10 N O S . I
• Molecular Weight: 331.177
• NSC Number: 36732
• DSSTox Substance ID: DTXSID30377616
• Mol file: 7465-65-8.mol

Synonyms:7465-65-8;1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide;2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone;iodide;Pyridinium, 1-[2-oxo-2-(2-thienyl)ethyl]-, iodide (1:1);1-[2-oxo-2-(2-thienyl)ethyl]pyridinium iodide;1-(2-Oxo-2-(thiophen-2-yl)ethyl)pyridin-1-ium iodide;2-pyridyl-1-(2-thienyl)ethan-1-one, iodide;DTXSID30377616;NSC36732;MFCD00220830;NSC-36732;AKOS003273679;11K-928;1-(2-Oxo-2-(thiophen-2-yl)ethyl)pyridin-1-iumiodide

Chemical Property of 1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 330.95278
• Heavy Atom Count: 15
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=[N+](C=C1)CC(=O)C2=CC=CS2.[I-]

Technology Process of 1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide

There total 2 articles about 1-[2-Oxo-2-(thiophen-2-yl)ethyl]pyridin-1-ium iodide 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: 100.0%

pyridine (110-86-1) + 2-Acetylthiophene (88-15-3,97511-16-5) → 1-[2-oxo-2-(thiophen-2-yl)ethyl]pyridinium iodide (7465-65-8)

Guidance literature:

With iodine;

DOI:10.1016/j.bmcl.2003.11.084

Reference yield:

pyridine (110-86-1) + 2-Acetylthiophene (88-15-3,97511-16-5) → pyridine hydroiodide (18820-83-2) + 1-[2-oxo-2-(thiophen-2-yl)ethyl]pyridinium iodide (7465-65-8)

Guidance literature:

With iodine; In ethanol; for 2.5h; Title compound not separated from byproducts; Heating;

DOI:10.1016/S0968-0896(03)00048-8

Reference yield: 91.8%

3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one (3654-50-0) + 1-[2-oxo-2-(thiophen-2-yl)ethyl]pyridinium iodide (7465-65-8) → 3-[2-(4-hydroxyphenyl)-6-(thiophen-2-yl)pyridin-4-yl]phenol

Guidance literature:

With ammonium acetate; acetic acid; at 90 - 100 ℃;

DOI:10.1016/j.ejmech.2014.04.066

upstream raw materials:

pyridine

2-Acetylthiophene

Downstream raw materials:

4-(4-nitrophenyl)-6-(thiophen-2-yl)-2,2'-bipyridine

4-(4-chlorophenyl)-2,6-di(2-thienyl)pyridine

2,6-bis(thiophen-2-yl)pyridine

4-(4-methylphenyl)-2,6-di(2-thienyl)pyridine

Refernces

• 1、 Anil, Seegehalli M.,Kiran, Kuppalli R.,Rajeev, Narasimhamurthy,Rangappa, Kanchugarakoppal S.,Sadashiva, Maralinganadoddi P.,Swaroop, Toreshettahally R.. "Cyclization of Active Methylene Isocyanides with α-Oxodithioesters Induced by Base: An Expedient Synthesis of 4-Methylthio/Ethoxycarbonyl-5-acylthiazoles". . p. 1444 - 1450. Retrieved 2020/04/27.
• 2、 Fukazawa, Yasuaki,Vaganov, Vladimir Yu.,Shipilovskikh, Sergei A.,Rubtsov, Aleksandr E.,Malkov, Andrei V.. "Stereoselective Synthesis of Atropisomeric Bipyridine N,N′-Dioxides by Oxidative Coupling". supporting information. p. 4798 - 4802. Retrieved 2019/06/17.