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[ CAS No. 927676-52-6 ]

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2D
Chemical Structure| 927676-52-6
Chemical Structure| 927676-52-6
Structure of 927676-52-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 927676-52-6 ]

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SDS

Product Details of [ 927676-52-6 ]

CAS No. :927676-52-6MDL No. :MFCD28144942
Formula :C17H27N3O2Boiling Point :-
Linear Structure Formula :-InChI Key :-
M.W :305.42Pubchem ID :69062408
Synonyms :

Computed Properties of [ 927676-52-6 ]

TPSA : 44.8 H-Bond Acceptor Count : 4
XLogP3 : 2.4 H-Bond Donor Count : 1
SP3 : 0.59 Rotatable Bond Count : 5

Safety of [ 927676-52-6 ]

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 [ 927676-52-6 ]

  • Upstream synthesis route of [ 927676-52-6 ]
  • Downstream synthetic route of [ 927676-52-6 ]

[ 927676-52-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 216144-45-5 ]
  • [ 24424-99-5 ]
  • [ 927676-52-6 ]
YieldReaction ConditionsOperation in experiment
82% With sodium hydroxide In tetrahydrofuran; water at 20℃; for 1.00 h; Preparation F; (3-chloro-4-(4-methylpiperazin-1-yl)phenyl)methanamine; Step F (1); To a solution of (4-(4-methylpiperazin-1-yl)phenyl)methanamine (204 mg, 1.0 mmol, Aldrich) in THF (2.0 mL) was added (Boc)2O (327 mg, 1.5 mmol) and NaOH/H2O (1.0 mL, 1 N). The mixture was stirred at rt for 1 h. EtOAc (100 mL) was added and the resulting solution was washed with H2O (2.x.100 mL). The organic layer was dried and concentrated to give 250 mg (yield 82percent) of tert-butyl 4-(4-methylpiperazin-1-yl)benzylcarbamate. LC-MS (M+H)+=306.35 1H-NMR(500 MHz, CD3OD) δ 7.18 (d, J=8.55 Hz, 2H), 6.94 (d, J=8.54 Hz, 2H), 4.15 (s, 2H), 3.16-3.22 (m, 4H), 2.60-2.66 (m, 4H), 2.36 (s, 3H), 1.46 (s, 9H).
Reference: [1] Patent: US2007/49589, 2007, A1. Location in patent: Page/Page column 13
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