3-(2-Thenoyl)pyridine

Base Information

• Chemical Name: 3-(2-Thenoyl)pyridine
• CAS No.: 21327-72-0
• Molecular Formula: C₁₀H₇NOS
• Molecular Weight: 189.238
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00375260
• Nikkaji Number: J1.042.058J
• Wikidata: Q82163787
• Mol file: 21327-72-0.mol

Synonyms:3-(2-Thenoyl)pyridine;21327-72-0;pyridin-3-yl(thiophen-2-yl)methanone;2-nicotinoylthiophene;2-Thienyl 3-pyridyl ketone;SCHEMBL7551725;DTXSID00375260;OQWPFCKVCCDORA-UHFFFAOYSA-N;3-(thiophen-2-ylcarbonyl)pyridine;3-(2-thenoyl)pyridine, AldrichCPR;MFCD03841023;AKOS000281676

Chemical Property of 3-(2-Thenoyl)pyridine

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 335oC at 760 mmHg
• Flash Point: 156.4oC
• PSA: 58.20000
• Density: 1.259g/cm3
• LogP: 2.37410
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.02483502
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

3-(2-THENOYL)PYRIDINE ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(=O)C2=CC=CS2

Technology Process of 3-(2-Thenoyl)pyridine

There total 8 articles about 3-(2-Thenoyl)pyridine 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: 88.0%

2-(pyridin-3-yl)-1-(thiophene-2-yl)ethanone (59576-36-2) → pyridin-3-yl(thiophen-2-yl)methanone (21327-72-0)

Guidance literature:

With potassium phosphate; oxygen; copper diacetate; p-toluidine; sodium sulfate; In dimethyl sulfoxide; at 140 ℃; for 6h; Sealed tube;

DOI:10.1002/anie.201308785

Reference yield: 85.0%

2-bromothiophene (1003-09-4) + pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) → pyridin-3-yl(thiophen-2-yl)methanone (21327-72-0)

Guidance literature:

2-bromothiophene; pyridine-3-carbonitrile; With n-butyllithium; In diethyl ether; hexane; at -78 - 0 ℃; for 0.5h;

With hydrogenchloride; In diethyl ether; hexane; for 0.5h; pH=1;

DOI:10.1016/S0223-5234(03)00041-2

Reference yield: 80.0%

2-Iodothiophene (3437-95-4,149762-92-5) + N,N-(Boc)2-nicotinamide → pyridin-3-yl(thiophen-2-yl)methanone (21327-72-0)

Guidance literature:

2-Iodothiophene; With TurboGrignard; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

N,N-(Boc)₂-nicotinamide; In tetrahydrofuran; at -20 - 20 ℃; for 2.5h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201904678

upstream raw materials:

2-bromothiophene

pyridine-3-carbonitrile

2-(pyridin-3-yl)-1-(thiophene-2-yl)ethanone

3-Bromopyridine

Downstream raw materials:

C₂₀H₁₈N₂OS