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[ CAS No. 942438-89-3 ]

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Chemical Structure| 942438-89-3
Chemical Structure| 942438-89-3
Structure of 942438-89-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 942438-89-3 ]

CAS No. :942438-89-3 MDL No. :MFCD04972386
Formula : C6H7BClNO3 Boiling Point : 337.4°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :187.39 g/mol Pubchem ID :-
Synonyms :

Safety of [ 942438-89-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 942438-89-3 ]

  • Downstream synthetic route of [ 942438-89-3 ]

[ 942438-89-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 942438-89-3 ]
  • [ 26621-44-3 ]
  • 3-chloro-2-methoxy-5-(3-nitro-1H-pyrazol-1-yl)pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
<strong>[26621-44-3]3-nitro-1H-pyrazole</strong> (145 mg, 1.28 mmol, 1.2 eq), copper (II) chloride (14.4 mg, 0.11 mmol, 0.1 eq), DBU (199 muL, 1.33 mmol, 1.25 eq), and ethanol (5.0 mL) were combined and stirred for 5 minutes. (5-chloro-6-methoxypyridin-3-yl)boronic acid (200 mg, 1.07 mmol, 1.0 eq) was added, air was bubbled through the reaction, and the mixture was heated to 60 C for 5 days. The mixture was filtered through celite, and the filtrate evaporated. The crude residue was dissolved in dichlormethane and washed with 2N NaOH, saturated aqueous NH4Cl, water, and brine. The organic layer was collected and evaporated to provide 3-chloro-2-methoxy-5-(3-nitro-1H-pyrazol-1-yl)pyridine, the full quantity of which was carried forward in the following step without further manipulation.
  • 2
  • [ 942438-89-3 ]
  • [ 6627-22-1 ]
  • methyl 6-(5-chloro-6-methoxypyridin-3-yl)pyrimidine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tripotassium phosphate tribasic; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II) dichloromethane adduct; In N,N-dimethyl-formamide; at 60℃; for 3h;Inert atmosphere; Sealed tube; A mixture of <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (100 mg, 0.579 mmol), (5-chloro-6- methoxypyridin-3-yl)boronic acid (217 mg, 1.16 mmol), dichloro[1,1'-bis(diphenylphos- 10 phino)ferrocene]palladium dichloromethane adduct (42 mg, 0.058 mmol) and potassium phosphate (369 mg, 1.74 mmol) in DMF (5 mL) was purged with argon and heated in a sealed tube at 60 C for 3 h. After this time, the reaction mixture was concentrated under reduced pressure, and the residue obtained was purified by FCC (Silica, 40-80% EtOAc in DCM) to give the title compound.1H NMR (300 MHz, DMSO-d6) δ 9.40 (d, J = 1.5 Hz, 1H), 9.09 (d, J = 2.1 Hz, 1H), 8.77 (d, J = 2.1 Hz, 1H), 15 8.64 (d, J = 1.2 Hz, 1H), 4.05 (s, 3H), 3.96 (s, 3H).
With tripotassium phosphate tribasic; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II) dichloromethane adduct; In N,N-dimethyl-formamide; at 60℃; for 3h;Inert atmosphere; Sealed tube; A mixture of <strong>[6627-22-1]methyl 6-chloropyrimidine-4-carboxylate</strong> (100 mg, 0.579 mmol), (5-chloro-6- methoxypyridin-3-yl)boronic acid (217 mg, 1.16 mmol), dichloro[1,1'-bis(diphenylphos- 10 phino)ferrocene]palladium dichloromethane adduct (42 mg, 0.058 mmol) and potassium phosphate (369 mg, 1.74 mmol) in DMF (5 mL) was purged with argon and heated in a sealed tube at 60 C for 3 h. After this time, the reaction mixture was concentrated under reduced pressure, and the residue obtained was purified by FCC (Silica, 40-80% EtOAc in DCM) to give the title compound.1H NMR (300 MHz, DMSO-d6) δ 9.40 (d, J = 1.5 Hz, 1H), 9.09 (d, J = 2.1 Hz, 1H), 8.77 (d, J = 2.1 Hz, 1H), 15 8.64 (d, J = 1.2 Hz, 1H), 4.05 (s, 3H), 3.96 (s, 3H).
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