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Chemical Structure| 1403898-63-4 Chemical Structure| 1403898-63-4

Structure of 1403898-63-4

Chemical Structure| 1403898-63-4

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Product Details of [ 1403898-63-4 ]

CAS No. :1403898-63-4
Formula : C6H15ClN2O
M.W : 166.65
SMILES Code : OC[C@@H]1NC[C@@H](C)NC1.[H]Cl
MDL No. :MFCD28405208

Safety of [ 1403898-63-4 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 1403898-63-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1403898-63-4 ]

[ 1403898-63-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 24424-99-5 ]
  • [ 1403898-63-4 ]
  • [ 1403898-64-5 ]
YieldReaction ConditionsOperation in experiment
75% With triethylamine; In methanol; at 0 - 50℃; for 20.5h; Preparation 4: (2R,5R)-5-Hydroxymethyl-2-methyl-pi perazi ne-I -carboxylic acid tertbutyl esterTo ((2R,5R)-5-methyl-piperazin-2-yl)-methanol hydrochloride (20 g, 119 mmol) in MeOH (96 mL) at 0 C (ice bath) was added triethylamine (48.7 mL, 357 mmol). teit-Butyl dicarbonate (61 g, 280 mmol) in MeOH (145 mL) was added over 30 mm. The reaction temperature was maintained at <10 c for 1 h, warmed to ambient temperature over 1 h and then heated to 50 00 for 18 h. The reaction was concentrated and the residue dissolved in ethanol (397 mL). Asolution of NaOH (23.8 g, 595 mmol) in water (397 mL) was added and the reaction heated to 100 00 for 18 h, then cooled to ambient temperature. Mixture was neutralised with 1M HCI (-300 mL) to pH 9 (using a pH meter), then extracted with chloroform (3 x 700 mL), dried over sodium sulfate, filtered and concentrated. The residue was redissolved in MeOH and concentrated, then dried in vacuo at 40 c to give the title compound (21 g, 75%) as acolourless solid. 1H NMR (Me-d3-OD): 4.20-4.07 (1H, m), 3.79 (1H, dd), 3.71-3.58 (2H, m),3.54 (1H, dd), 3.24 (1H, dd), 3.18-3.01 (1H, m), 3.01-2.89 (1H, m), 2.55 (1H, dd), 1.48 (9H,5), 1.25 (3H, 5).
 

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