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[ CAS No. 405057-75-2 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 405057-75-2
Chemical Structure| 405057-75-2
Structure of 405057-75-2 *Storage: {[proInfo.prStorage]}

Quality Control of [ 405057-75-2 ]

Related Doc. of [ 405057-75-2 ]

SDS

Product Details of [ 405057-75-2 ]

CAS No. :405057-75-2MDL No. :MFCD07772081
Formula : C14H20N2O2 Boiling Point : 374.6±42.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :UKMMXAXGJCWGTF-UHFFFAOYSA-N
M.W :248.32Pubchem ID :18621153
Synonyms :

Computed Properties of [ 405057-75-2 ]

TPSA : 41.6 H-Bond Acceptor Count : 3
XLogP3 : 1.7 H-Bond Donor Count : 1
SP3 : 0.50 Rotatable Bond Count : 4

Safety of [ 405057-75-2 ]

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 [ 405057-75-2 ]

  • Upstream synthesis route of [ 405057-75-2 ]
  • Downstream synthetic route of [ 405057-75-2 ]

[ 405057-75-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 19099-93-5 ]
  • [ 593-51-1 ]
  • [ 405057-75-2 ]
YieldReaction ConditionsOperation in experiment
100%
Stage #1: With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane at 20℃;
Stage #2: With sodium hydrogencarbonate In water; 1,2-dichloro-ethane
To a suspension of 1-(benzyloxycarbonyl)piperidin-4-one (4 g, 17.16 mmol), methanamine hydrochloride (1.95 g, 18.88 mmol) and triacetoxy sodium borohydride (5.09 g, 24.02 mmol) in DCE (46 mL) was added HOAc (0.8 mL, 12.7 mmol), and the resulting mixture was stirred at room temperature overnight. The reaction mixture was treated with saturated aqueous NaHCO3 (50 mL) , extracted with CH2CI2 (3 X 40 mL), dried over Na2SO4, filtered, and concentrated in vacuo to give crude 1- (benzyloxycarbonyl)-4-methylaminopiperidine (4 g, 100percent): 1H NMR (400 MHz, CDCI3) δ ppm 7.31-7.35 (m, 5H), 5.12 (s, 2H), 4.13 (s, 2H), 3.72 (s, 3H), 2.86 (t, J = 10 Hz, 1 H), 2.56-2.63 (m, 1 H), 2.48 (s, 3H), 2.12 (s, 3H), 1.91 (s, 1 H), 1 .22-1.39 (m, 2H).
Reference: [1] Patent: WO2009/76387, 2009, A1. Location in patent: Page/Page column 40
  • 2
  • [ 19099-93-5 ]
  • [ 74-89-5 ]
  • [ 405057-75-2 ]
Reference: [1] Patent: WO2005/30209, 2005, A1. Location in patent: Page/Page column 58
Historical Records

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