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Structure of 268550-48-7

Chemical Structure| 268550-48-7

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Product Details of [ 268550-48-7 ]

CAS No. :268550-48-7
Formula : C13H22N2O3
M.W : 254.33
SMILES Code : O=C(N(CC1)CCC21CCNC2=O)OC(C)(C)C
MDL No. :MFCD08461248
InChI Key :ADPIEGXXCABJCH-UHFFFAOYSA-N
Pubchem ID :45073946

Safety of [ 268550-48-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 268550-48-7 ]

* 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 [ 268550-48-7 ]

[ 268550-48-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 832710-65-3 ]
  • [ 24424-99-5 ]
  • [ 268550-48-7 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In tetrahydrofuran; water;pH ~ 10; To a solution of 2, 8-diaza-spiro [4.5] decan-l-one hydrochloride (763 mg, 4 mmol, 1 equiv) in 10 mL of 1 : 1 THF and water was added (Boc) 20 (960 mg, 1.1 equiv). The pH of the solution was adjusted to-10 by addition of K2CO3. Upon completion, the mixture was extraction with EtOAc. Organic layer was dried over sodium sulfate, filtered, and evaporated to givel-oxo-2, 8-diaza-spiro [4,5] decane-8-carboxylic acid tert-butyl ester.
  • 2
  • [ 268550-48-7 ]
  • [ 832710-65-3 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; water; at 20℃; for 8h; Step A: 2,8-diazaspiro[4.Sldecan-1-one hydrochloride: To a solution of tert-butyl 1-oxo-2,8- diazaspiro[4.5]decane-8-carboxylate (Inermediate 14, 92 g, 0.36 mol) in CH2C12 (1 L) was slowly added a 4 M HC1 solution (500 mL). The mixture was stirred for 8 h at RT. The mixture was concentrated under vacuum to afford the title compound. ?H NMR (400 MHz, DMSO-d6) oe 9.35 (s, 1H), 9.02 (s, 1H), 7.72 (s, 1H), 3.30-3.20 (m, 2H), 3.16 (m,J= 6.8Hz, 2H), 2.98-2.85(m, 2H), 1.96 (m,J= 6.8Hz, 2H), 1.90-1.80 (m, 2H), 1.55 (d,J 14Hz, 2H).
240 mg With hydrogenchloride; In ethanol; ethyl acetate; at 60℃; for 2h; C) 2,8-diazaspiro[4.5]decan-1-one hydrochloride To a mixture of tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate (400 mg), ethyl acetate (10 mL) and ethanol (2.0 mL) was added 4 M hydrogen chloride/ethyl acetate solution (5.0 mL) at room temperature, the mixture was stirred at 60C for 2 hr, and the solvent was evaporated under reduced pressure. The residue was diluted with ethyl acetate, and the obtained solid was collected by filtration to give the title compound (240 mg). 1H NMR (300 MHz, CDCl3) delta 1.47-1.64 (2H, m), 1.77-1.92 (2H, m), 1.93-2.03 (2H, m), 2.81-3.03 (2H, m), 3.11-3.34 (4H, m), 7.72 (1H, brs), 8.62-9.33 (2H, m).
With hydrogenchloride; In dichloromethane; ethyl acetate; at 20℃; for 8h; To a solution of tert-butyl l-oxo-2,8- diazaspiro[4.5]decane-8-carboxylate (INTERMEDIATE 14) (92 g, 0.36 mol) in CH2C12 (1 L) was slowly added a 4 M HC1 solution in EtOAc (500 mL). The mixture was stirred for 8 h at rt. The mixture was concentrated under vacuum to afford the title compound. 1H-NMR (400 MHz, DMSO-d6): delta 9.35 (s, 1H), 9.02 (s, 1H), 7.72 (s, 1H), 3.30-3.20 (m, 2H), 3.16 (m, J = 6.8Hz, 2H), 2.98-2.85 (m, 2H), 1.96 (m, J = 6.8Hz, 2H), 1.90-1.80 (m, 2H), 1.55 (d, J = 14 Hz, 2H).
  • 3
  • [ 268550-48-7 ]
  • [ 1211540-92-9 ]
  • 8-(3-bromo-5-chloropyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one [ No CAS ]
 

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