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[ CAS No. 73470-46-9 ]

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2D
Chemical Structure| 73470-46-9
Chemical Structure| 73470-46-9
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Product Details of [ 73470-46-9 ]

CAS No. :73470-46-9MDL No. :MFCD21104138
Formula : C9H18N2O3 Boiling Point : 348.5±25.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :202.25Pubchem ID :11287144
Synonyms :

Computed Properties of [ 73470-46-9 ]

TPSA : 81.4 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.78 Rotatable Bond Count : 4

Safety of [ 73470-46-9 ]

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 [ 73470-46-9 ]

  • Upstream synthesis route of [ 73470-46-9 ]
  • Downstream synthetic route of [ 73470-46-9 ]

[ 73470-46-9 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 30992-29-1 ]
  • [ 73470-46-9 ]
YieldReaction ConditionsOperation in experiment
88%
Stage #1: With pyridine; di-<i>tert</i>-butyl dicarbonate In acetonitrile at 20℃; for 0.333333 h;
Stage #2: With ammonia In water; acetonitrile for 4.33333 h;
A mixture of 2-(tert-butoxycarbonylamino)-2-methylpropanoic acid (CAN: 30992-29-1, 20 g, 98 mmol), di-tert-butyl dicarbonate (CAN 24424-99-5, 27.67 g, 147 mmol) and pyridine (4.6 mL) in acetonitrile (500 mL) was stirred at room temperature for 20 min. Ammonia (10 mL) was added dropwise for 20 min. The resulting reaction mixture was stirred for 4 h. After removal of most of the solvent under reduced pressure, the solid was filtered off and washed with acetonitrile. The solid was brought to dryness under reduced pressure to give the title compound (17.5 g, 88percent) as white solid; MS (EI): m/e 225.1 [M+Na]+.
88%
Stage #1: With pyridine; di-<i>tert</i>-butyl dicarbonate In acetonitrile at 20℃; for 0.333333 h;
Stage #2: With ammonia In acetonitrile for 4.3 h;
A mixture of 2-(tert-butoxycarbonylamino)-2-methylpropanoic acid (CAN: 30992-29-1, 20 g, 98 mmol), di-tert-butyl dicarbonate (CAN 24424-99-5, 27.67 g, 147 mmol) and pyridine (4.6 mL) in acetonitrile (500 mL) was stirred at room temperature for 20 min. Ammonia (10 mL) was added dropwise for 20 min. The resulting reaction mixture was stirred for 4 h. After removal of most of the solvent under reduced pressure, the solid was filtered off and washed with acetonitrile. The solid was brought to dryness under reduced pressure to give the title compound (17.5 g, 88percent) as white solid; MS(EI): m/e 225.1 [M+Na]+.
Reference: [1] Patent: US2012/316147, 2012, A1, . Location in patent: Page/Page column 33-34
[2] Patent: WO2012/168350, 2012, A1, . Location in patent: Page/Page column 80
[3] Tetrahedron, 2004, vol. 60, # 40, p. 8929 - 8936
[4] Tetrahedron Letters, 2000, vol. 41, # 50, p. 9809 - 9813
[5] Tetrahedron Letters, 2003, vol. 44, # 3, p. 463 - 466
[6] Journal of Heterocyclic Chemistry, 1981, vol. 18, # 8, p. 1629 - 1633
[7] Journal of Medicinal Chemistry, 2002, vol. 45, # 25, p. 5471 - 5482
[8] Patent: WO2009/70485, 2009, A1, . Location in patent: Page/Page column 102
  • 2
  • [ 24424-99-5 ]
  • [ 30992-29-1 ]
  • [ 73470-46-9 ]
Reference: [1] Patent: WO2008/17691, 2008, A1, . Location in patent: Page/Page column 24
[2] Patent: WO2008/17691, 2008, A1, . Location in patent: Page/Page column 24-25
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