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[ CAS No. 1159983-30-8 ]

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2D
Chemical Structure| 1159983-30-8
Chemical Structure| 1159983-30-8
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Product Details of [ 1159983-30-8 ]

CAS No. :1159983-30-8MDL No. :MFCD08460439
Formula : C12H22N2O4 Boiling Point : 398.9±27.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :258.31Pubchem ID :49759554
Synonyms :

Computed Properties of [ 1159983-30-8 ]

TPSA : 92.9 H-Bond Acceptor Count : 5
XLogP3 : -1.7 H-Bond Donor Count : 2
SP3 : 0.83 Rotatable Bond Count : 4

Safety of [ 1159983-30-8 ]

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 [ 1159983-30-8 ]

  • Upstream synthesis route of [ 1159983-30-8 ]
  • Downstream synthetic route of [ 1159983-30-8 ]

[ 1159983-30-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 141-82-2 ]
  • [ 79099-07-3 ]
  • [ 1159983-30-8 ]
YieldReaction ConditionsOperation in experiment
36% With ammonium acetate In butan-1-ol for 3.00 h; Reflux A mixture of 4-oxo-piperidine- 1 -carboxylic acid tert-butyl ester (3.5 g, 17.55 mmol) (Sigma- Aldrich), malonic acid (2.0 g, 19.30 mmol) and ammonium acetate (3.1 g, 40.36 mmol) in n-BuOH was refluxed for 3 h. After cooled, white solid was collected, rinsed with EtOAc and dried in vacuo to provide the title compound 1.61 g (6.2 mmol) in 36percent yield. NMR (200 MHz) in D20, δ ppm: 3.66 (br m, 2 H), 3.10 (br m, 2H), 2.45 (s, 2 H), 1.69 (br m, 4 H), 1.28 (s, 9 H).
Reference: [1] Patent: WO2013/134660, 2013, A1. Location in patent: Paragraph 0373
[2] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 10, p. 1071 - 1074
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[ 1159983-30-8 ]

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