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3-Acetylpyridine

Base Information
  • Chemical Name:3-Acetylpyridine
  • CAS No.:350-03-8
  • Molecular Formula:C7H7NO
  • Molecular Weight:121.139
  • Hs Code.:2933.39
  • European Community (EC) Number:206-496-7
  • NSC Number:761
  • UNII:00QT8FX306
  • DSSTox Substance ID:DTXSID7044421
  • Nikkaji Number:J5.689H
  • Wikidata:Q27231372
  • Metabolomics Workbench ID:45902
  • ChEMBL ID:CHEMBL3187172
  • Mol file:350-03-8.mol
3-Acetylpyridine

Synonyms:1-pyridin-3-yl-ethanone;3-acetylpyridine

Suppliers and Price of 3-Acetylpyridine
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 3-Acetylpyridine
  • 250g
  • $ 240.00
  • TCI Chemical
  • 3-Acetylpyridine >98.0%(GC)
  • 25g
  • $ 43.00
  • TCI Chemical
  • 3-Acetylpyridine >98.0%(GC)
  • 250g
  • $ 229.00
  • SynQuest Laboratories
  • 3-Acetylpyridine 97%
  • 500 g
  • $ 304.00
  • SynQuest Laboratories
  • 3-Acetylpyridine 97%
  • 100 g
  • $ 136.00
  • Sigma-Aldrich
  • 3-Acetylpyridine 98%
  • 100g
  • $ 65.00
  • Sigma-Aldrich
  • 3-Acetylpyridine ≥98%,FG
  • 1 SAMPLE-K
  • $ 50.00
  • Sigma-Aldrich
  • 3-Acetylpyridine ≥98%, FG
  • sample-k
  • $ 50.00
  • Sigma-Aldrich
  • 3-Acetylpyridine ≥98%, FG
  • 100 g
  • $ 106.00
  • Sigma-Aldrich
  • 3-Acetylpyridine ≥98%, FG
  • 100g-k
  • $ 106.00
Total 215 raw suppliers
Chemical Property of 3-Acetylpyridine
Chemical Property:
  • Appearance/Colour:clear colorless to yellow liquid 
  • Vapor Pressure:0.111mmHg at 25°C 
  • Melting Point:11-13 °C(lit.) 
  • Refractive Index:n20/D 1.534(lit.)  
  • Boiling Point:220.8 °C at 760 mmHg 
  • PKA:pK1: 3.256(+1) (25°C) 
  • Flash Point:92.3 °C 
  • PSA:29.96000 
  • Density:1.06 g/cm3 
  • LogP:1.28420 
  • Storage Temp.:Refrigerator 
  • Water Solubility.:SOLUBLE IN HOT WATER 
  • XLogP3:0.4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:1
  • Exact Mass:121.052763847
  • Heavy Atom Count:9
  • Complexity:112
Purity/Quality:

99% *data from raw suppliers

3-Acetylpyridine *data from reagent suppliers

Safty Information:
  • Pictogram(s): ToxicT, IrritantXi, HarmfulXn 
  • Hazard Codes:T,Xi,Xn 
  • Statements: 25-36/38-36/37/38-20/21/22 
  • Safety Statements: 45-37/39-28A-26-36 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=O)C1=CN=CC=C1
  • Description A colorless liquid with sweet, nutty, popcorn-like aroma.
  • Uses 3-Acetylpyridine used as an intermediate for the synthesis of risedronate sodium, inhibitor of bone resorption. It is also used in perfumery. Used in the fragrance industry and as an intermediate in the synthesis of a number of clinical drugs, including Imatinib, Mesylate, Metyrapone, Telithromycin, and Ridogrel. An analog of nicotinamide that competes for incorporation into NAD. It has been used to chemically lesion the inferior olive nucleus, thereby eliminating climbing fibers within the cerebellar cortex.
Technology Process of 3-Acetylpyridine

There total 74 articles about 3-Acetylpyridine 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:
Guidance literature:
With (4,4′-di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) hexafluorophosphate; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate; In acetonitrile; at 20 ℃; for 0.5h; chemoselective reaction; Inert atmosphere; Irradiation;
DOI:10.1021/acs.joc.0c02805
Guidance literature:
With sulfuric acid; dihydrogen peroxide; sodium bromide; In 1,4-dioxane; water; at 70 ℃; Flow reactor; Green chemistry;
DOI:10.1016/j.tetlet.2015.07.069
Guidance literature:
With tert.-butylhydroperoxide; In ethylbenzene; water; at 135 ℃; for 24h; Concentration; Temperature; Time; Sealed tube;
Refernces

Imatinib analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at a kinase level

10.1016/j.bmc.2013.10.040

The research focused on the synthesis and evaluation of imatinib mesylate (STI-571) analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at the kinase level. The study involved molecular modeling to predict binding configurations, followed by the synthesis of STI-571 and its analogs using various reactants such as 2-methyl-5-nitroaniline, cyanamide, and 3-acetylpyridine derivatives. Radiolabeling with [18F] and [131I] was performed to prepare PET imaging agents. In vitro kinase assays were conducted to assess the potency of the analogs in inhibiting Bcr-Abl and c-KIT kinase activities. The uptake rates of [18F]-STI-571 in K562 cells (expressing Abl) and U87WT cells (overexpressing c-KIT) were measured and compared with those in U87 cells. PET scans were conducted on tumor-bearing mice to visualize tumor uptake and contrast. The research utilized various analytical techniques, including HPLC, MS, NMR, and radio-TLC, to monitor reactions, assess radiochemical purity, and characterize compounds. The results showed that the [18F]-STI-571 analog could serve as a marker for sensitivity to Bcr-Abl and c-KIT inhibitors, potentially aiding in patient selection for targeted therapies.

A practical synthesis of 1-N-SEM-Protected 3-Iodo-7-methyl-2-piperidin-3- ylindole

10.1055/s-0029-1217110

The research aims to develop an efficient and convenient method for synthesizing 1-N-SEM-protected 3-iodo-7-methyl-2-piperidin-3-ylindole, a compound that serves as a scaffold for creating diverse 7-methyl-substituted indole libraries with significant potential for biological activity. The study explores various synthetic steps, starting with the preparation of N-(1-pyridin-3-ylethylidene)-N-o-tolylhydrazine hydrochloride (1) through the reaction of 3-acetylpyridine and 2-methylphenylhydrazine hydrochloride. This compound is then subjected to Fischer cyclization with zinc(II) chloride in glacial acetic acid to produce 7-methyl-2-pyridin-3-yl-1H-indole (2). Subsequent selective hydrogenation using platinum(IV) oxide yields 7-methyl-2-piperidin-3-yl-1H-indole (4), which is then protected with tert-butyloxycarbonyl (Boc) to form 3-(7-methyl-1H-indol-2-yl)piperidine-1-carboxylic acid tert-butyl ester (5). The final step involves C-3 iodination followed by N-SEM protection to obtain the desired compound 3. The study concludes that this modified synthetic procedure is efficient, flexible, and convenient, requiring only moderate temperatures and providing synthetic flexibility for further chemistries at C-3 and the piperidinyl nitrogen.

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