123061-49-4

Basic information

• Product Name: 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE
• Synonyms: 4-TRIBUTYLSTANNYL-2-THIOMETHYLPYRIMIDINE;2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE;2-Methylthio-4-(tri-n-butylstannyl)pyriMidine, 96%;Pyrimidine, 2-(methylthio)-4-(tributylstannyl)-;4-(tributylstannyl)-2-(Methylthio)pyriMidine;2-Methylthiol-4-tributyltinpyMidine
• CAS NO: 123061-49-4
• Molecular Formula: C₁₇H₃₂N₂SSn
• Molecular Weight: 415.22
• Product Categories: Organostannes;Pyrimidine;Stannanes;organic tin
• Mol File: 123061-49-4.mol

Chemical Properties

• Boiling Point: 434.4 °C at 760 mmHg
• Flash Point: 216.5 °C
• Appearance: /
• Vapor Pressure: 2.41E-07mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 0?+-.0.31(Predicted)
• CAS DataBase Reference: 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE(123061-49-4)
• EPA Substance Registry System: 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE(123061-49-4)

Safety Data

• Hazard Codes: Xi
• HazardClass: 6.1
• Hazardous Substances Data: 123061-49-4(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE is used as a building block for the synthesis of complex organic molecules, leveraging its structural features to facilitate the formation of desired products.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE is used as an intermediate in the development of new drugs, contributing to the creation of novel therapeutic agents.
Used in Agrochemical Production:
Similarly, in agrochemicals, 2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE is utilized as an intermediate, playing a crucial role in the synthesis of new compounds for agricultural applications.
Used in Cross-Coupling Reactions:
2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE is used as a reagent in cross-coupling reactions, taking advantage of the tributylstannyl group to form new carbon-carbon or carbon-heteroatom bonds, which are essential in the synthesis of a wide range of organic compounds.
Used in Selective Functionalization:
2-(METHYLTHIO)-4-(TRIBUTYLSTANNYL)PYRIMIDINE is also used as a directing group for selective functionalization of the pyrimidine ring, allowing for the precise modification of the molecule to achieve specific properties or reactivity in chemical processes.

InChI:InChI=1/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3;/rC17H32N2SSn/c1-5-8-13-21(14-9-6-2,15-10-7-3)16-11-12-18-17(19-16)20-4/h11-12H,5-10,13-15H2,1-4H3

Upstream product

• 49844-90-8 4-Chloro-2-methylthiopyrimidine 
• 1461-22-9 tributyltin chloride 
• 1122-74-3 4-iodo-2-(methylthio)pyrimidine 
• 813-19-4 bis(tri-n-butyltin) 

Downstream Products

• 1196552-10-9 (R)-6-(2-(3-fluorophenyl)pyrrolidin-1-yl)-3-(6-(2-(methylsulfinyl)pyrimidin-4-yl)pyridin-2-yl)imidazo[1,2-b]pyridazine 
• 1196552-09-6 (R)-6-(2-(3-fluorophenyl)pyrrolidin-1-yl)-3-(6-(2-(methylsulfonyl)pyrimidin-4-yl)pyridin-2-yl)imidazo[1,2-b]pyridazine 
• 1453852-65-7 (S)-2-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-5-(2-(methylthio)pyrimidin-4-yl)pyridazin-3(2H)-one 
• 1298100-89-6 2-(S)-{[4-(4-methoxy-phenoxy)-2'-methylsulfanyl-[2,4]bipyrimidin-yl-5-ylamino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 1239502-92-1 4-(2,4-dichlorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]-5-(4H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile 
• 1196552-08-5 (R)-6-(2-(3-fluorophenyl)pyrrolidin-1-yl)-3-(6-(2-(methylthio)pyrimidin-4-yl)pyridin-2-yl)imidazo[1,2-b]pyridazine 
• 1150111-43-5 2'-methylthio-N-(3-fluorophenyl)[4,4'-bipyrimidine]-6-amine 
• 401816-91-9 Methyl 4-{6-(trifluoromethyl)-2-[3-chlorophenyl]pyrazolo[1, 5-a]pyridin-3-yl}pyrimidin-2-yl sulfide 
• 401816-87-3 4-[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl methyl sulfide 
• 401816-83-9 methyl 4-{6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-3-yl}pyrimidin-2-yl sulfide 
• 401816-65-7 4-[2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl methyl sulfide 
• 625095-86-5 N-cyclopentyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine 
• 528867-77-8 8-chloro-2-(4-fluoro-phenyl)-3-(2-methylsulfanyl-pyrimidin-4-yl)-imidazo[1,2-a]pyridine 
• 56734-10-2 2-(methylsulfanyl)-4-phenylpyrimidine 

Relevant articles and documents

Stannylation in the Electrophilic 2- and 4/6-Pyrimidine Position and the Use of Stannylpyrimidines in Coupling and Tin-Lithium Exchange Reactions

2-Stannylpyrimidines have been prepared by stannyl anion substitution in 2-chloropyrimidines.Stannylation in the 4-position was via the iodo-derivative or via the 4-lithio derivative and lithium-tin transmetallation.Tin-lithium exchange in the 2-position

Synthesis of mono- and diaza-'pyridones' via stille coupling of alkoxystannanes

Various alkoxy-substituted heterocyclic stannanes provide access to the corresponding substituted 'pyridone' moieties via Stille cross-coupling. Both pyridyl and a series of diazinyl stannanes are prepared, and options for unmasking (via demethylation or debenzylation) of the pyridone unit are evaluated. Georg Thieme Verlag Stuttgart. New York.

THERAPEUTIC COMPOUNDS

The present invention provides compounds of formula (I): pharmaceutical compositions containing the same, processes for preparing the same and their use as pharmaceutical agents.