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[ CAS No. 1160790-26-0 ]

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Chemical Structure| 1160790-26-0
Chemical Structure| 1160790-26-0
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Product Details of [ 1160790-26-0 ]

CAS No. :1160790-26-0 MDL No. :MFCD11878350
Formula : C13H17BN4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :272.11 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1160790-26-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1160790-26-0 ]

  • Downstream synthetic route of [ 1160790-26-0 ]

[ 1160790-26-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1160790-26-0 ]
  • [ 1160790-23-7 ]
  • [ 1160790-25-9 ]
YieldReaction ConditionsOperation in experiment
33% Stage #1: 2-(1H-imidazol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine; 2-(3-ethylureido)benzo[d]thiazol-5-yl trifluoromethanesulfonate With potassium phosphate In water; N,N-dimethyl-formamide for 0.25h; Stage #2: In water; N,N-dimethyl-formamide at 85℃; for 4.25h; 28 A solution of 2-(3-ethylureido)benzo[d]thiazol-5-yl trifluoromethanesulfonate III (0.075 g, 0.20 mmol), 2-(1 H-imidazol-1 -yl)-5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2- yl)pyrimidine (0.11 g, 0.40 mmol) and K3PO4 (0.13 g, 0.60 mmol) in DMF-H2O (7.0 mL, 5:2) was degassed by flushing with nitrogen for 15 min. Dichlorobis(triphenylphosphine)-palladium(ll) (0.014 g, 0.020 mmol) was then added to the reaction mixture followed by degassing with nitrogen for another 15 min. The resulting reaction mixture was then heated to 850C for 4 h. After the completion of the reaction (TLC monitoring), the reaction mixture was cooled to room temperature and poured onto ice-cold water followed by extraction with EtOAc (2 x 100 mL). The combined organics was washed with brine, dried (Na2SO4), filtered and concentrated under reduced pressure. The crude was then purified over silica gel (100-200 M, 3.0% MeOH-DCM) to obtain the desired product (0.025 g, 33%). 1H-NMR (400 MHz, DMSO-d6): δ 1.10 (t, J= 7.20 Hz, 3H), 3.19 (m, 2H)1 6.74 (br s, 1 H), 7.18 (s, 1H), 7.68 (dd, J= 1.60 and 8.40 Hz, 1 H), 8.0 (s, 1 H), 8.06 (d, J= 8.40 Hz, 1 H), 8.10 (s, 1H), 8.64 (s, 1 H), 9.27 (s, 2H) and 10.78 (br s, 1 H). MS: 366.12 (M+H)+. Qualitative HPLC Purity (Acquity BEH C-18, 100 x 2.1 mm, 268 nm): 96.87% (Rt = 3.89 min).
Historical Records

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[ 1160790-26-0 ]

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Organoboron

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Esters

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Related Parent Nucleus of
[ 1160790-26-0 ]

Imidazoles

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Pyrimidines

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