2-Propionylpyridine

Base Information

• Chemical Name: 2-Propionylpyridine
• CAS No.: 3238-55-9
• Molecular Formula: C8H9 N O
• Molecular Weight: 135.166
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID00334397
• Nikkaji Number: J113.917G
• Wikidata: Q72502477
• Mol file: 3238-55-9.mol

Synonyms:2-Propionylpyridine;3238-55-9;1-(pyridin-2-yl)propan-1-one;1-pyridin-2-ylpropan-1-one;1-Propanone, 1-(2-pyridinyl)-;1-(2-Pyridinyl)-1-propanone;1-Propanone, 1-(2-pyridyl)-;MFCD00023486;2-Pyridyl ethyl ketone;methylacetylpyridine;2-propionyl pyridine;ethyl-2-pyridylketone;SCHEMBL156496;1-pyridin-2-yl-propan-1-one;DTXSID00334397;1-(2-Pyridinyl)-1-propanone #;AKOS005174374;AB01373;AS-31187;SY005362;1-(pyridin-2-yl)propan-1-one, AldrichCPR;BB 0259431;CS-0186684;FT-0634742;EN300-61094;A875638;O-Naphthalen-2-ylN-methyl-N-(3-methylphenyl)thiocarbamate

Chemical Property of 2-Propionylpyridine

Chemical Property:

• Vapor Pressure: 0.18mmHg at 25°C
• Melting Point: 206-207 °C
• Refractive Index: 1.508
• Boiling Point: 211.7°Cat760mmHg
• PKA: 3.02±0.10(Predicted)
• Flash Point: 86.2°C
• PSA: 29.96000
• Density: 1.034g/cm³
• LogP: 1.67430
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Propionylpyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=CC=N1
• Uses: 2-Propionylpyridine is used in preparation of Oxodiphenyldihydropyrazolecarboxamide derivatives and analogs for use as ACSS2 inhibitors.

Technology Process of 2-Propionylpyridine

There total 4 articles about 2-Propionylpyridine 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: 30.0%

nitrostyrene (5153-67-3) + 1-(pyridin-2-yl)-prop-2-en-1-ol (204244-60-0,214149-61-8) → 2-propionylpyridine (3238-55-9) + 5-nitro-4-phenyl-1-(2-pyridyl)-1-pentanone (1093347-30-8)

Guidance literature:

In toluene; at 110 ℃; for 18h;

DOI:10.1016/j.tet.2009.06.044

Reference yield: 19.0%

4-bromo-β-nitrostyrene (3156-37-4) + 1-(pyridin-2-yl)-prop-2-en-1-ol (204244-60-0,214149-61-8) → 2-propionylpyridine (3238-55-9) + 5-nitro-4-(4-bromophenyl)-1-(2-pyridyl)-1-pentanone (1187764-14-2)

Guidance literature:

In toluene; at 110 ℃; for 18h;

DOI:10.1016/j.tet.2009.06.044

Reference yield: 11.0%

nitrobenzene (98-95-3,26969-40-4) + 1-(pyridin-2-yl)-prop-2-en-1-ol (204244-60-0,214149-61-8) → 2-propionylpyridine (3238-55-9) + 3-anilino-1-(2-pyridyl)-1-propanone (73553-52-3)

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃; for 4h;

DOI:10.1016/j.tet.2009.06.044

upstream raw materials:

3,5-dichloro-1-nitrobenzene

1-(pyridin-2-yl)-prop-2-en-1-ol

nitrostyrene

4-bromo-β-nitrostyrene

Downstream raw materials:

1-[2]pyridyl-propan-1-one-phenylhydrazone

1-[2]pyridyl-propan-1-one oxime

5-ethyl-5-[2]pyridyl-imidazolidine-2,4-dione

2-Bromo-1-(pyridin-2-yl)-1-propanone

Refernces

• 1、 Giomi, Donatella,Alfini, Renzo,Brandi, Alberto. "New reactivity of 1-(2-pyridyl)-2-propen-1-ol with nitro derivatives". scheme or table. p. 6977 - 6979. Retrieved 2009/04/07.