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1246372-66-6

1246372-66-6 Structure

1246372-66-6 Structure
IdentificationBack Directory
[Name]

2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
[CAS]

1246372-66-6
[Synonyms]

2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
3-Pyridinecarbonitrile, 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C12H16BN3O2
[MDL Number]

MFCD16995200
[MOL File]

1246372-66-6.mol
[Molecular Weight]

245.09
Chemical PropertiesBack Directory
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[InChI]

InChI=1S/C12H16BN3O2/c1-11(2)12(3,4)18-13(17-11)9-5-8(6-14)10(15)16-7-9/h5,7H,1-4H3,(H2,15,16)
[InChIKey]

KRNXYPYYVHFVQS-UHFFFAOYSA-N
[SMILES]

C1(N)=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1C#N
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bis(pinacolato)diboron-->2-AMINO-5-BROMO-NICOTINONITRILE
Safety DataBack Directory
[HS Code ]

2933399990
Hazard InformationBack Directory
[Synthesis]

2-amino-5-bromonicotinonitrile (50 g, 0.224 mol), bis (pinacolato) diboron (85.6 g, 0.337 mol), KOAc (44.1 g, 0.449 mol) and Pd (dppf) Cl2. CH2C12 (2.77 g, 3.4 mmol) was charged into a flask. Dioxane (400 mL) was added. The reaction mixture was stirred at 100 ℃ for 2 h under Ar. When LC-MS indicated that the reaction was completed, the mixture was cooled to room temperature. Subsequently, the mixture was filtered through diatomite, concentrated, diluted with a mixture of ethyl acetate and hexane (3:1, 1000 mL), filtered through silica gel (300-400 mesh), concentrated, crystallized and dried to give 2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester (32 g, 66%) as a white solid.
2-Amino-3-cyanopyridine-5-boronic Acid Pinacol Ester
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