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[ CAS No. 915226-44-7 ]

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2D
Chemical Structure| 915226-44-7
Chemical Structure| 915226-44-7
Structure of 915226-44-7 *Storage: {[proInfo.prStorage]}

Quality Control of [ 915226-44-7 ]

Related Doc. of [ 915226-44-7 ]

SDS

Product Details of [ 915226-44-7 ]

CAS No. :915226-44-7MDL No. :MFCD05864632
Formula : C11H18N2O2 Boiling Point : 325.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :UEFZTXGFHKPSFS-VIFPVBQESA-N
M.W :210.27Pubchem ID :7019448
Synonyms :

Computed Properties of [ 915226-44-7 ]

TPSA : 53.3 H-Bond Acceptor Count : 3
XLogP3 : 1.3 H-Bond Donor Count : 0
SP3 : 0.82 Rotatable Bond Count : 2

Safety of [ 915226-44-7 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 915226-44-7 ]

  • Upstream synthesis route of [ 915226-44-7 ]
  • Downstream synthetic route of [ 915226-44-7 ]

[ 915226-44-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 915226-43-6 ]
  • [ 915226-44-7 ]
YieldReaction ConditionsOperation in experiment
100% at 0 - 20℃; 2(B)
(R)-3-Cyano-piperidine-1-carboxylic acid tert-butyl ester
Phosphorus oxychloride (203 μL, 2.18 mmol) was added dropwise at 0° C. to a solution of (R)-3-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester (0.5 g, 2.18 mmol) in pyridine (10 mL), under nitrogen atmosphere.
After stirring overnight at room temperature, ethyl acetate was added and the solution was washed with 10percent HCl (2 times).
The phases were separated and the organics were dried over sodium sulphate and evaporated to dryness under reduced pressure.
The title compound was used for the next step without further purification.
Yield: quantitative; LCMS (T): 4.48 min (Method A); MS (ES+) gave m/z: 211.1.
Reference: [1] Patent: US2009/215822, 2009, A1. Location in patent: Page/Page column 10
  • 2
  • [ 915226-43-6 ]
  • [ 915226-44-7 ]
YieldReaction ConditionsOperation in experiment
100% at 0 - 20℃; 2(B)
(R)-3-Cyano-piperidine-1-carboxylic acid tert-butyl ester
Phosphorus oxychloride (203 μL, 2.18 mmol) was added dropwise at 0° C. to a solution of (R)-3-carbamoyl-piperidine-1-carboxylic acid tert-butyl ester (0.5 g, 2.18 mmol) in pyridine (10 mL), under nitrogen atmosphere.
After stirring overnight at room temperature, ethyl acetate was added and the solution was washed with 10percent HCl (2 times).
The phases were separated and the organics were dried over sodium sulphate and evaporated to dryness under reduced pressure.
The title compound was used for the next step without further purification.
Yield: quantitative; LCMS (T): 4.48 min (Method A); MS (ES+) gave m/z: 211.1.
Reference: [1] Patent: US2009/215822, 2009, A1. Location in patent: Page/Page column 10
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