[ CAS No. 1313738-91-8 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1313738-91-8
Chemical Structure| 1313738-91-8
Structure of 1313738-91-8

Quality Control of [ 1313738-91-8 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1313738-91-8 ]

SDS

Product Details of [ 1313738-91-8 ]

CAS No. :1313738-91-8MDL No. :MFCD11878164
Formula :C13H19BN2O3Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :262.11Pubchem ID :49760437
Synonyms :

Computed Properties of [ 1313738-91-8 ]

TPSA : 60.4 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 1
SP3 : 0.54 Rotatable Bond Count : 2

Safety of [ 1313738-91-8 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1313738-91-8 ]

  • Downstream synthetic route of [ 1313738-91-8 ]

[ 1313738-91-8 ] Synthesis Path-Downstream   1~10

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YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate; In 1,4 dimethylcyclohexane; at 80.0℃; for 3.0h; To a stirred solution of 5-2 (600 mg, 1.0 eq.) in 1,4 dioxane (8 mL) were added bis(pinacalato)diboron (1.5 eq.) and KOAc (3.0 eq.). The mixture was degassed for 10 mm, followed by the addition of PdC12(dppf)-DCM (0.1 eq.), and degassed again for 10 mm. After being stirred at 80C for 3h, TLC indicated formation of a new polar spot with complete consumption of starting material. The mixture was cooled to ft and the crude 5-3 was used in the next step without any workup and purification.
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  • 4-(2-amino-3-((3-chloro-4-fluorophenyl)amino)furo[2,3-c]pyridin-7-yl)-N-methylpicolinamide [ No CAS ]
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  • 4-formyl-3-hydroxy-N-methyl-[2,4’-bipyridine]-2’-carboxamide [ No CAS ]
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  • [ 1047665-63-3 ]
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  • 4-formyl-3-(methoxymethoxy)-N-methyl-[2,4’-bipyridine]-2’-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
6.3 g With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); tricyclohexylphosphine; In 1,4-dioxane; water; at 100.0℃; for 2.0h;Inert atmosphere; To a stirred solution of 2-bromo-3 -methoxymethoxy-pyridine-4-carbaldehyde (5.0 g, 20.325 mmol) in 1,4-dioxane (250 mL) was added crude N-methyl-4-(4,4,5,5-tetramethyl-1,3,2- dioxaborolan-2-yl)picolinamide (3.659 g, 20.325 mmol), K3P04 (27.2 mL, 34.553 mmol, 1.27 M in water) and P(Cy)3 (1.14 g, 4.065 mmol). The reaction mixture was degassed for 20 mm with Argon then added Pd2(dba)3 (1.86 g, 2.033 mmol) and again degassed for another 5 mm. The reaction mixture was heated to 100 C for 2 h. After completion of reaction the reaction mixture was cool to room temperature, the volatiles were removed under reduced pressure to afford crude 4-formyl-3 -(methoxymethoxy)-N-methyl- [2,4?-bipyridine] -2?-carboxamide (6.3 g), which was forwarded to the next step as such. LCMS: 302 (M+H).
With potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0); tricyclohexylphosphine; In 1,4-dioxane; water; at 100.0℃; for 2.0h;Inert atmosphere; To a stirred solution of 2-bromo-3-methoxymethoxy-pyridine-4-carbaldehyde (5.0 g, 20.325 mmol) in 1,4-dioxane (250 niL) was added crude N-methyl-4-(4,4,5,5-tetramethyl- l,3,2-dioxaborolan-2-yl)picolinamide (3.659 g, 20.325 mmol ), K3P04 (27.2 mL, 34.553 mmol, 1.27 M in water) and P(Cy)3 (1.14 g, 4.065 mmol ). The reaction mixture was degassed for 20 min with Argon then added Pd2(dba)3 (1.86 g, 2.033 mmol) and again degassed for another 5 min. The reaction mixture was heated to 100 C for 2 h. After completion of reaction the reaction mixture was cool to room temperature, the volatiles were removed under reduced pressure to afford crude 4-formyl-3-(methoxymethoxy)-N- methyl-[2,4'-bipyridine]-2'-carboxamide (6.3 g), which was forwarded to the next step as such. LCMS: 302 (M+H).
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