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CAS No. : | 927676-52-6 | MDL No. : | MFCD28144942 |
Formula : | C17H27N3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 305.42 | Pubchem ID : | 69062408 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 44.8 | H-Bond Acceptor Count : | 4 |
XLogP3 : | 2.4 | H-Bond Donor Count : | 1 |
SP3 : | 0.59 | Rotatable Bond Count : | 5 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
82% | With sodium hydroxide In tetrahydrofuran; water at 20℃; for 1 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). |
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