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[ CAS No. 128102-16-9 ]

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2D
Chemical Structure| 128102-16-9
Chemical Structure| 128102-16-9
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Product Details of [ 128102-16-9 ]

CAS No. :128102-16-9MDL No. :MFCD06410782
Formula : C18H26N2O4 Boiling Point : 435.4°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :334.41Pubchem ID :29920759
Synonyms :

Computed Properties of [ 128102-16-9 ]

TPSA : 59.1 H-Bond Acceptor Count : 4
XLogP3 : 2.7 H-Bond Donor Count : 0
SP3 : 0.56 Rotatable Bond Count : 5

Safety of [ 128102-16-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 128102-16-9 ]

  • Upstream synthesis route of [ 128102-16-9 ]
  • Downstream synthetic route of [ 128102-16-9 ]

[ 128102-16-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 128102-16-9 ]
  • [ 120737-78-2 ]
YieldReaction ConditionsOperation in experiment
97% With hydrogen In methanol at 20℃; A solution of 4-benzyl 1-tert-butyl 2-methylpiperazine-1,4-dicarboxylate (4.8 g, 14.4 mmol) in methanol (25 mL) was added 480 mg of 10percent Pd/C and stirred at room temperature under hydrogen overnight. Filtered and concentrated to give the title product (2.8 g, yield 97percent) as colorless oil. 1H-NMR (400 MHz, CDCl3) δ (ppm): 1.21 (d, J=6.8 Hz, 3H), 1.46 (s, 9H), 2.64-2.70 (m, 1H), 2.74-2.78 (m, 1H), 2.88-3.01 (m, 3H), 3.78 (d, J=12.4 Hz, 1H), 4.16 (m, 1H); LC-MS (ESI) m/z: 201 (M+1)+
97% With hydrogen In methanol at 20℃; Example 1 15Btert-Butyl 2-methylpiperazine- 1 -carboxylate[00728] A solution of 4-benzyl 1-tert-butyl 2-methylpiperazine- 1,4-dicarboxylate (4.8 g, 14.4 mmol) in methanol (25 mL) was added 480 mg of 10percent Pd/C and stirred at room temperature under hydrogen overnight. Filtered and concentrated to give the title product (2.8 g, yield 97percent) as colorless oil. ^-NMR (400 MHz, CDC13) δ (ppm): 1.21 (d, J= 6.8 Hz, 3H), 1.46 (s, 9H), 2.64-2.70 (m, 1H), 2.74- 2.78 (m, 1H), 2.88-3.01 (m, 3H), 3.78 (d, J= 12.4 Hz, 1H), 4.16 (m, 1H); LC-MS (ESI) m/z: 201 (M+l)+.
96% With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; for 3 h; 10percent palladium carbon (223 mg) was dissolved in ethanol (5 mL) in a solution of 4-benzyl 1-tert-butyl 2-methylpiperazine-1,4-dicarboxylate (2.23 g, 6.68 mmol) in ethanol (10 mL) . The inside of the reaction vessel was replaced with hydrogen and stirred at room temperature for 3 hours. The reaction solution was filtered through celite and concentrated to give the title compound (1.28 g, 96percent). Transparent oil
Reference: [1] Patent: US2010/35883, 2010, A1, . Location in patent: Page/Page column 86
[2] Patent: WO2011/130661, 2011, A1, . Location in patent: Page/Page column 167
[3] Patent: JP6378918, 2018, B2, . Location in patent: Paragraph 0657; 0659
[4] Patent: EP350950, 1990, A1,
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