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Chemical Structure| 1170390-54-1 Chemical Structure| 1170390-54-1

Structure of 1170390-54-1

Chemical Structure| 1170390-54-1

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Product Details of [ 1170390-54-1 ]

CAS No. :1170390-54-1
Formula : C10H20N2O3
M.W : 216.28
SMILES Code : O=C(N1CCOCC(N)C1)OC(C)(C)C
MDL No. :MFCD12964084
InChI Key :QIAURBVQLIUTQH-UHFFFAOYSA-N
Pubchem ID :44119210

Safety of [ 1170390-54-1 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H227-H315-H319-H335
Precautionary Statements:P305+P351+P338

Application In Synthesis of [ 1170390-54-1 ]

* 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 [ 1170390-54-1 ]

[ 1170390-54-1 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 4509-90-4 ]
  • [ 1170390-54-1 ]
  • [ 1271811-36-9 ]
YieldReaction ConditionsOperation in experiment
With triethylamine;Cooling with ice; To an ice bath stirring solution of tert- vXy 6-amino-l ,4-oxazepane-4-carboxylate 38.4 (1.01 g, 4.67 mmol) and Et3N (1.95 mL, 14.0 mmol) was added 5-bromo-pentanoyl chloride (0.62 mL, 4.7 mmol). The ice bath was removed and the solution was stirring for 1 h and then diluted with water and extracted with DCM. The organic phase was washed with diluted citric acid, water, sat. NaHC03, dried (MgSC^), filtered and concentrated in vacuo to afford an oil which was purification by flash column chromatography (gradient EtOAc/hexanes). LCMS m/z 324.1 & 325.1 [ M - tBu]+.
  • 2
  • [ 748805-96-1 ]
  • [ 1170390-54-1 ]
  • 3
  • [ 748805-97-2 ]
  • [ 1170390-54-1 ]
  • 4
  • [ 26690-80-2 ]
  • [ 1170390-54-1 ]
  • 5
  • [ 1271811-33-6 ]
  • [ 1170390-54-1 ]
YieldReaction ConditionsOperation in experiment
With hydrogen bromide; hydrogen; In methanol; water; at 20.0℃; under 3206.4 Torr; for 144.0h; te/ -butyl 6-(hydroxyimino) -1 ,4-oxazepane-4-carboxylate 38.3 (1.0 g, 4.4 mmol) was dissolved in MeOH (17.8 mL, 438.6 mmol) and treated with Raney Nickel (1 :9, Nickel: Water, 0.38 mL, 5.8 mmol) and 6 M HBr in water (0.073 mL, 0.44 mmol). The mixture was stirred vigorously under 62 PSI hydrogen pressure at room temperature for 6 days. The mixture was filtered and the solvent removed under reduced pressure to afford the desired product 38.4 which was used without further purification. LCMS m z 217.15 [M + 1]+.
  • 6
  • [ 1170390-54-1 ]
  • [ 1271808-06-0 ]
  • 7
  • [ 1170390-54-1 ]
  • [ 1271808-08-2 ]
  • 8
  • [ 1170390-54-1 ]
  • [ 1271811-39-2 ]
  • 9
  • [ 1170390-54-1 ]
  • [ 1271811-42-7 ]
  • 10
  • [ 1170390-54-1 ]
  • [ 1271811-45-0 ]
  • 11
  • [ 1170390-54-1 ]
  • 2-chloro-N-(5-((5-(2-(methylsulfonyl)pyrimidin-4-yl)thiazol-4-yl)oxy)naphthalen-1-yl)benzenesulfonamide [ No CAS ]
  • C33H33ClN6O6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In 1,4-dioxane; at 100.0℃; for 72.0h;Inert atmosphere; A mixture of 106 (75 mg, 0.13 mmol), 109 (85 mg, 0.39 mmol) and TEA (1 mL) in l,4-dioxane (2 mL) was degassed and backfilled with nitrogen. The reaction was heated to l00C for 72h. Then the solution was cooled to room temperature, concentrated and the crude material was directly used in the next step without any further purification. To a stirred solution of this material (180 mg) in methanol (1 mL) was added HC1 in methanol (1 mL) dropwise at 0C. The reaction mixture was stirred for 2 h at room temperature, concentrated in vacuo and purified by PREP HPLC to afford 112 as a dark yellow solid. % of Yield: 19.7 mg; Mass (m/z): 609.4 (M+H); TLC Rf: Methanol: DCM (10:90) = 0.1; JH NMR (400 MHz, DMSO-de): d 8.97 (s, 1H), 8.30 (d, J= 4.8 Hz, 1H), 7.91 (d, J= 8 Hz, 1H), 7.82-7.79 (m, 1H), 7.67-7.55 (m, 3H), 7.42-7.39 (m, 1H), 7.31-7.15 (m, 3H), 6.84 (d,.7=7.5 Hz, 1H), 4.2 (brs, 1H, NH), 3.87 (m, 2H), 3.67 (m, 2H), 3.3-2.98 (m, 5H).
 

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