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[ CAS No. 28795-81-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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Chemical Structure| 28795-81-5
Chemical Structure| 28795-81-5
Structure of 28795-81-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 28795-81-5 ]

CAS No. :28795-81-5 MDL No. :MFCD09607989
Formula : C5H12N2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 116.16 Pubchem ID :-
Synonyms :

Safety of [ 28795-81-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501 UN#:3259
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 28795-81-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 28795-81-5 ]

[ 28795-81-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 28795-81-5 ]
  • [ 93107-30-3 ]
  • [ 123187-97-3 ]
  • 2
  • [ 42098-25-9 ]
  • [ 28795-81-5 ]
  • [ 1428573-88-9 ]
YieldReaction ConditionsOperation in experiment
2.13 g Intermediate 47 RRN No.608tert-Butyl 6-methoxy-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate [0475] <strong>[42098-25-9]5-chloro-1-methyl-4-nitro-1H-pyrazole</strong> from Example 1 (1.62 g, 10.0 mmol), 1,4-diazepan-6-ol (4.18 g, 15.0 mmol) and DIPEA (6.6 mL) in EtOH (6 mL) was heated at 130 C. in a microwave for 3 hr. The solvent was removed under reduced pressure and the residue dissolved in DCM (60 mL) and DMF (10 mL). Di-tert-butyl dicarbonate (8.73 g, 40 mmol) and DIPEA (3.48 mL) were added and the mixture stirred at room temperature for 16 hr. The solvent was removed under reduced pressure and the residue purified by silica gel column chromatography (0-100% EtOAc/isohexane) to give tert-butyl 6-hydroxy-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate as a yellow oil (2.13 g). To a solution of this oil (205 mg, 0.6 mmol) in THF (5 ml) at 0 C. was added sodium hydride (60% in mineral oil, 24 mg, 0.6 mmol). After 30 min, iodomethane (0.04 mL, 0.6 mmol) was added and the resulting mixture allowed to warm to room temperature over 1.5 hr. The mixture was diluted with DCM (20 mL) and washed with water (20 ml) and saturated aqueous NaHCO3 (20 mL). The organic layer was separated, passed through a phase separation cartridge and concentrated under reduced pressure. Purification via silica gel column chromatography (0-100% EtOAc/isohexane) gave tert-butyl 6-methoxy-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate as a yellow gum (116 mg, 33% over two steps). LCMS (ES+) m/z 356 (M+1).
  • 3
  • [ 1260665-99-3 ]
  • [ 28795-81-5 ]
  • [ 1527525-92-3 ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine In ethanol at 100℃; for 20h; Sealed tube; 160.A; 163.A 1-(3-Bromo-6-iodopyridin-2-yl)-1,4-diazepan-6-ol A solution of 3-bromo-2-fluoro-6-iodopyridine (1.00 g, 3.4 mmol), 1,4-diazepan-6-ol (510 mg, 4.4 mmol), and DIPEA (2 mL) in EtOH (6 mL) in a sealed tube was stirred at 100 °C for 20 hours. The reaction mixture was concentrated under reduced pressure to give a residue(1.18 g), which was used for the next step without further purification. MS (ESI) m/z: 398 [M+H]+.
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