Isopropyl 2-pyridyl ketone

Base Information

• Chemical Name: Isopropyl 2-pyridyl ketone
• CAS No.: 59576-30-6
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2933399090
• European Community (EC) Number: 261-814-1
• DSSTox Substance ID: DTXSID30208239
• Nikkaji Number: J298.184J
• Wikidata: Q83082344
• Mol file: 59576-30-6.mol

Synonyms:Isopropyl 2-pyridyl ketone;59576-30-6;2-methyl-1-(pyridin-2-yl)propan-1-one;2-methyl-1-pyridin-2-ylpropan-1-one;MFCD00778577;2-Methyl-1-(2-pyridyl)propan-1-one;1-Propanone, 2-methyl-1-(2-pyridinyl)-;EINECS 261-814-1;2-Methyl-1-pyridin-2-yl-propan-1-one;Isopropyl2-PyridylKetone;2-Isobutyrylpyridine;isopropylpyridylketone;SCHEMBL888686;DTXSID30208239;N-ACETYLGLYCYL-D-GLUTAMICACID;AKOS010015526;SB52483;2-methyl-1-(2-pyridinyl)-1-propanone;2-methyl-(1-pyridin-2-yl)propan-1-one;AS-31199;SY004992;CS-0454131;FT-0640612;EN300-112087

Chemical Property of Isopropyl 2-pyridyl ketone

Chemical Property:

• Vapor Pressure: 0.098mmHg at 25°C
• Melting Point: 179-180 °C
• Boiling Point: 223.1°C at 760 mmHg
• PKA: 3.04±0.10(Predicted)
• Flash Point: 93.8°C
• PSA: 29.96000
• Density: 1.01g/cm³
• LogP: 1.92030
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

97% ^*data from raw suppliers

Isopropyl2-PyridylKetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C1=CC=CC=N1

Technology Process of Isopropyl 2-pyridyl ketone

There total 13 articles about Isopropyl 2-pyridyl ketone 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%

α-isopropyl(2-pyridyl)methanol (102439-95-2) → 2-methyl-1-(pyridin-2-yl)propan-1-one (59576-30-6)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutyl-ammonium chloride; sodium carbonate; copper dichloride; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; In water; at 40 ℃; for 48h;

DOI:10.1016/j.tetlet.2006.01.061

Reference yield: 84.0%

2-Cyanopyridine (100-70-9,1232006-36-8) + isopropylmagnesium bromide (920-39-8) → 2-methyl-1-(pyridin-2-yl)propan-1-one (59576-30-6)

Guidance literature:

2-Cyanopyridine; isopropylmagnesium bromide; In diethyl ether; at -15 - 20 ℃; for 3h;

With hydrogenchloride; water; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1021/acs.orglett.8b02498

Reference yield: 82.0%

2-Cyanopyridine (100-70-9,1232006-36-8) → 2-methyl-1-(pyridin-2-yl)propan-1-one (59576-30-6)

Guidance literature:

2-Cyanopyridine; isopropylmagnesium halide; In diethyl ether; at -15 - 20 ℃; for 4h;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.25h;

DOI:10.1021/jm060232u

upstream raw materials:

2-Cyanopyridine

isopropylmagnesium bromide

2-acetylpyridine

methyl iodide

Downstream raw materials:

2,2-dimethyl-1-pyridin-2-yl-propan-1-one

4-Methyl-benzenesulfinic acid [2-methyl-1-pyridin-2-yl-prop-(E)-ylidene]-amide

5,5-Dimethyl-3-oxy-2-phenyl-4-pyridin-2-yl-2,5-dihydro-imidazol-1-ol

2-(4-Hexadecyloxy-phenyl)-5,5-dimethyl-3-oxy-4-pyridin-2-yl-2,5-dihydro-imidazol-1-ol