31595-32-1

Basic information

• Product Name: 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE
• Synonyms: 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE;T-BUTYL 2-PYRIDYL KETONE
• CAS NO: 31595-32-1
• Molecular Formula: C₁₀H₁₃NO
• Molecular Weight: 163.22
• Mol File: 31595-32-1.mol
• Article Data: 12

Chemical Properties

• Boiling Point: 235.3°C at 760 mmHg
• Flash Point: 101.9°C
• Appearance: /
• Density: 0.996g/cm³
• Vapor Pressure: 0.0505mmHg at 25°C
• Refractive Index: 1.5
• PKA: 3.06±0.10(Predicted)
• CAS DataBase Reference: 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE(31595-32-1)
• EPA Substance Registry System: 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE(31595-32-1)

Safety Data

• Hazardous Substances Data: 31595-32-1(Hazardous Substances Data)

Usage

Usage

Microbial nitrification inhibitor in agriculture, used to reduce nitrogen loss from soil, improve fertilizer efficiency, and mitigate environmental pollution

Function

Slows down the conversion of ammonium to nitrate, retaining more nitrogen in the soil and reducing nitrate leaching

Additional uses

Production of pharmaceuticals and other organic synthesis processes

Safety precautions

Potential irritant to skin, eyes, and respiratory system, should be handled and used with caution.

InChI:InChI=1/C10H13NO/c1-10(2,3)9(12)8-6-4-5-7-11-8/h4-7H,1-3H3

Upstream product

• 59576-30-6 2-methyl-1-(pyridin-2-yl)propan-1-one 
• 74-88-4 methyl iodide 
• 109-04-6 2-bromo-pyridine 
• 630-19-3 pivalaldehyde 
• 100-70-9 2-Cyanopyridine 
• 920-39-8 isopropylmagnesium bromide 
• 17624-36-1 2-pyridyllithium 
• 124-38-9 carbon dioxide 
• 594-19-4 tert.-butyl lithium 
• 630-18-2 tert-butyl isocyanide 
• 2259-30-5 tert-butylmagnesium bromide 
• 3282-30-2 pivaloyl chloride 
• 110-86-1 pyridine 

Downstream Products

• 864429-02-7 4-Methyl-benzenesulfinic acid [2,2-dimethyl-1-pyridin-2-yl-prop-(E)-ylidene]-amide 
• 886-65-7 1,4-diphenyl-1,3-butadiene 

Relevant articles and documents

Site-Selective Pd-Catalyzed C(sp3)?H Arylation of Heteroaromatic Ketones

A ligand-controlled site-selective C(sp3)?H arylation of heteroaromatic ketones has been developed using Pd catalysis. The reaction occurred selectively at the α- or β-position of the ketone side-chain. The switch from α- to β-arylation was realized by addition of a pyridone ligand. The α-arylation process showed broad scope and high site- and chemoselectivity, whereas the β-arylation was more limited. Mechanistic investigations suggested that α-arylation occurs through C?H activation/oxidative addition/reductive elimination whereas β-arylation involves desaturation and aryl insertion.

Enantioselective hydrogenation and transfer hydrogenation of bulky ketones catalysed by a ruthenium complex of a chiral tridentate ligand

A study on the enantioselective hydrogenation of tertiary alkyl ketones catalysed by a novel class of tridentate-Ru complex is reported. In contrast to the extensively studied [RuCl2(diphos)(di-primary amine)] complexes, this new class of hydro

Enantioselective Allylic Substitutions Catalyzed by [(Hydroxyalkyl)pyridinooxazoline]- and [(Alkoxyalkyl)pyridinooxazoline]palladium Complexes

Highly enantioselective (up to >99% ee) palladium-catalyzed substitution of rac-3-diphenyl-2-propenyl acetate with dimethyl malonate as nucleophile was achieved using 2-(1-hydroxyalkyl)-6-(4,5-dihydro-2-oxazolyl)pyridines and 2-(1-alkoxyalkyl)-6-(4,5-dihydro-2-oxazolyl)pyridines as ligands for palladium. The selectivity was found to be highly dependent on the nature of the substituants on the ligand and on the relative configuration of the two stereogenic centers present in the ligand. The results are discussed in terms of the conformation of the ligands in the intermediate π-allylpalladium complexes.