76014-80-7

Basic information

• Product Name: 4-oxo-4-(3-pyridinebutanal)
• Synonyms: 4-oxo-4-(3-pyridinebutanal);4-Oxo-1-(3-pyridyl)-1-butanone;γ-Oxo-3-pyridinebutanal;4-oxo-4-(pyridin-3-yl)butanal
• CAS NO: 76014-80-7
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17326
• Product Categories: Various Metabolites and Impurities;Metabolites;Nicotine Derivatives
• Mol File: 76014-80-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 290.25°C (rough estimate)
• Flash Point: 156.4°C
• Appearance: /
• Density: 1.2021 (rough estimate)
• Vapor Pressure: 0.000198mmHg at 25°C
• Refractive Index: 1.5460 (estimate)
• Storage Temp.: -20°C Freezer
• CAS DataBase Reference: 4-oxo-4-(3-pyridinebutanal)(CAS DataBase Reference)
• NIST Chemistry Reference: 4-oxo-4-(3-pyridinebutanal)(76014-80-7)
• EPA Substance Registry System: 4-oxo-4-(3-pyridinebutanal)(76014-80-7)

Safety Data

• Hazardous Substances Data: 76014-80-7(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Oil

Uses

Different sources of media describe the Uses of 76014-80-7 differently. You can refer to the following data:
1. A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). This compound is unstable and cannot be stored for more than six months.
2. A metabolite of the tobacco-specific nitrosamine, NNK (Cat. #M32575). This compound is unstable and cannot be stored for more than six months.

Definition

ChEBI: A member of the class of butanals that is succinic semialdehyde in which the hydroxy group of the carboxylic acid function is replaced by a pyridin-3-yl group.

InChI:InChI=1/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2

Upstream product

• 626-55-1 3-Bromopyridine 
• 131684-97-4 1-(tert-butoxycarbonyl)-5-ethoxy-1-azacyclopentanone 
• 109065-57-8 3-(1,3-dioxolan-2-yl)-1-(pyridin-3-yl)propan-1-one 
• 59578-62-0 4-(3-pyridyl)-4-oxobutanol 
• 421557-52-0 3-(4,4-dimethoxy-1-oxobutyl)pyridine 
• 59-67-6 nicotinic acid 
• 95091-91-1 N-methoxy-N-methylpyridine-3-carboxamide 
• 16518-17-5 potassium nicotinate 

Downstream Products

• 487-19-4 nicotirine 
• 86900-39-2 3-(1-ethylpyrrolidin-2-yl)pyridine 
• 22083-74-5 3-(1-methyl-pyrrolidin-2-yl)-pyridine 
• 75652-51-6 3-(1-benzylpyrrolidin-2-yl)pyridine 
• 494-97-3 nornicotine 
• 3562-11-6 5'-carboxynornicotine 
• 5746-86-1 rac-nornicotine 

Relevant articles and documents

Methods of using QIAPINE

Uses of QIAPINE? to treat internal bleeding, such as subdural hematoma and subarachinoid hemorrhage, and ocular bleeding, such as such as hyphema and vitreous hemorrhage, in a subject are described. Also described are uses of QIAPINE? to treat vision loss resulting from hyphema or vitreous hemorrhage.

Synthesis of nornicotine, nicotine and other functionalised derivatives using solid-supported reagents and scavengers

The sequential use of solid-supported reagents and scavengers has led to an efficient synthesis of the natural products nornicotine 1, nicotine 2 and further fuctionalised derivatives. Also reported is a diastereoselective route to both enantiomers of nicotine 2.

A novel reductive aminocyclization for the syntheses of chiral pyrrolidines: Stereoselective syntheses of (S)-nornicotine and 2-(2'-pyrrolidyl)-pyridines

(S)-Nornicotine 2 was synthesized in four steps. A key step in the synthesis involved reductive aminocyclization of a 1,4-ketoaldehyde with 2,3,4,6-tetra-O-pivaloyl-β-D-galactosylamine 1 in the presence of sodium cyanoborohydride, diastereoselectively affording the corresponding stereoisomer 6 in 45% yield. The aminosugar moiety could be easily removed by acidic hydrolysis to furnish 2. The aminocyclization was further extended to asymmetric syntheses of novel chiral 2-(2'-pyrrolidyl)-pyridine ligands 12 and 13.