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[ CAS No. 1254710-16-1 ]

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2D
Chemical Structure| 1254710-16-1
Chemical Structure| 1254710-16-1
Structure of 1254710-16-1 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1254710-16-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 1254710-16-1 ]

SDS

Product Details of [ 1254710-16-1 ]

CAS No. :1254710-16-1MDL No. :MFCD18711550
Formula :C11H6BrClN4Boiling Point :-
Linear Structure Formula :-InChI Key :N/A
M.W :309.55Pubchem ID :-
Synonyms :

Computed Properties of [ 1254710-16-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 1254710-16-1 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P301 P312-P302 P352-P305 P351 P338UN#:N/A
Hazard Statements:H302-H315-H320-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1254710-16-1 ]

  • Downstream synthetic route of [ 1254710-16-1 ]

[ 1254710-16-1 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 1254710-16-1 ]
  • [ 1826-67-1 ]
  • 2-phenyl-7-vinyl[1,2,4]triazolo[1,5-c]pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
30% With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 70.0℃; for 2.0h;Inert atmosphere; Sealed tube; General procedure: A sealed round-bottomed flask was charged with 5 (0.5 mmol),Pd(PPh3)2Cl2 (0.035 g, 0.05 mmol, 0.1 equiv), vinylmagnesiumchloride (0.7 M in THF, 1.1 mmol, 1.5 mL), and THF (6 mL). Themixture was stirred at 70 C under N2 atmosphere for 2 h. The progressof the reaction was monitored by TLC (eluent: PE-EtOAc,8:1). After completion of the reaction, sat. aq NH4Cl (5 mL) wasadded, and extracted with EtOAc (3 × 50 mL). After removal of thesolvent under reduced pressure, the residue was subjected to columnchromatography on silica gel (eluent: PE-EtOAc, 12:1) to afford products 8.
  • 2
  • [ 1254710-16-1 ]
  • [ 100-46-9 ]
  • 7,8-dibenzylamino-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% With triethylamine; In methanol; for 24.0h;Reflux; General procedure: A mixture of 5a (0.16 g, 0.5 mmol), the appropriate amine (1.5mmol, 3.0 equiv), and Et3N (0.51 g, 5 mmol) in anhydrous MeOH(15 mL) was stirred under reflux for 24 h until full consumption ofthe substrates. The progress of the reaction was monitored by TLC(eluent: PE-EtOAc, 3:1). Then, the mixture was concentrated underreduced pressure. The residue was directly subjected to columnchromatography on silica gel using PE-EtOAc (8:1) as the eluent toafford, respectively, the desired 7,8-bis(amino)-substituted[1,2,4]triazolo[1,5-c]pyrimidines 6g and 6h.
  • 3
  • [ 1254710-16-1 ]
  • [ 106-49-0 ]
  • 2-phenyl-7,8-di(p-toluidino)[1,2,4]triazolo[1,5-c]pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With triethylamine; In methanol; for 24.0h;Reflux; General procedure: A mixture of 5a (0.16 g, 0.5 mmol), the appropriate amine (1.5mmol, 3.0 equiv), and Et3N (0.51 g, 5 mmol) in anhydrous MeOH(15 mL) was stirred under reflux for 24 h until full consumption ofthe substrates. The progress of the reaction was monitored by TLC(eluent: PE-EtOAc, 3:1). Then, the mixture was concentrated underreduced pressure. The residue was directly subjected to columnchromatography on silica gel using PE-EtOAc (8:1) as the eluent toafford, respectively, the desired 7,8-bis(amino)-substituted[1,2,4]triazolo[1,5-c]pyrimidines 6g and 6h.
  • 4
  • [ 68588-40-9 ]
  • [ 1254710-16-1 ]
YieldReaction ConditionsOperation in experiment
83% With bromine; sodium acetate; acetic acid; at 20.0℃; for 2.0h; General procedure: The hydrazone 3 (1 mmol) was dissolved in glacial AcOH (10 mL),and NaOAc (0.74 g, 9.0 mmol) was added. To the mixture was addedBr2 (0.48 g, 3.0 mmol) dropwise with vigorous stirring at r.t. Theprogress of the reaction was monitored by TLC analysis (eluent:PE-EtOAc, 2:1). After the specified time (Table 2), the reactionmixture was cooled to r.t., and aq NaOH (1 M, 25 mL) was added.The precipitate was isolated by filtration and subjected to silica gelcolumn chromatography, eluting with PE-EtOAc (2:1) to obtain 4in the yields shown in Table 2.
Historical Records

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