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[ CAS No. 174855-57-3 ]

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2D
Chemical Structure| 174855-57-3
Chemical Structure| 174855-57-3
Structure of 174855-57-3 *Storage: {[proInfo.prStorage]}

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Product Details of [ 174855-57-3 ]

CAS No. :174855-57-3MDL No. :MFCD05864664
Formula : C16H22N2O3 Boiling Point : 425.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :290.36Pubchem ID :6490990
Synonyms :

Computed Properties of [ 174855-57-3 ]

TPSA : 49.8 H-Bond Acceptor Count : 4
XLogP3 : 2.2 H-Bond Donor Count : 0
SP3 : 0.50 Rotatable Bond Count : 4

Safety of [ 174855-57-3 ]

Signal Word:WarningClass:
Precautionary Statements:P280-P305+P351+P338UN#:
Hazard Statements:H317-H319Packing Group:
GHS Pictogram:

Application In Synthesis of [ 174855-57-3 ]

  • Upstream synthesis route of [ 174855-57-3 ]
  • Downstream synthetic route of [ 174855-57-3 ]

[ 174855-57-3 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 446-52-6 ]
  • [ 57260-71-6 ]
  • [ 174855-57-3 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 21, p. 3793 - 3796
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4417 - 4423
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 27, p. 6821 - 6830
[4] Journal of Organic Chemistry, 2005, vol. 70, # 22, p. 8924 - 8931
[5] Synthesis, 2010, # 24, p. 4287 - 4299
[6] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 22, p. 5605 - 5609
[7] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 17, p. 4817 - 4822
[8] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 14, p. 4599 - 4604
  • 2
  • [ 111373-03-6 ]
  • [ 174855-57-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 3, p. 744 - 755
  • 3
  • [ 24424-99-5 ]
  • [ 736991-52-9 ]
  • [ 174855-57-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2004, vol. 47, # 3, p. 744 - 755
  • 4
  • [ 24424-99-5 ]
  • [ 174855-57-3 ]
Reference: [1] Patent: WO2006/133098, 2006, A2, . Location in patent: Page/Page column 3/18
  • 5
  • [ 174855-57-3 ]
  • [ 736991-52-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4417 - 4423
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 22, p. 5605 - 5609
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 27, p. 6821 - 6830
[4] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 20, p. 4615 - 4618
  • 6
  • [ 174855-57-3 ]
  • [ 444582-90-5 ]
YieldReaction ConditionsOperation in experiment
95%
Stage #1: With aminosulfonic acid In 1,4-dioxane; water at 4℃; for 0.5 h;
Stage #2: With sodium chlorite In 1,4-dioxane; water
An alternative method for preparing this intermediate is as follows. 4-(2-Formyl- phenyl)-piperazine-l-carboxylic acid tert-buty\\ ester (0.50 g, 1.72 mmol) is dissolved in 80 mL of dioxane and 20 mL of H2O. The mixture is cooled to 4° C. To this is added sulfamic acid (1.36 g, 14.00 mmol) in one portion. The mixture is stirred for an additional 30 min. To this is added 3 mL of a solution of NaClO2 (0.343 g, 3.80 mmol) in a dropwise manner. The reaction is quenched reaction with addition of 50 mL of H2O and 50 mL of brine. The mixture is extracted with 3x100 mL of CH2Cl2. The organic phase is washed with 2x50 niL of brine, dried (MgSO4), filtered and concentrated to give 500 mg of 4-(2-carboxy-phenyl)-piperazine-l-carboxylic acid tert-butyl ester, 95 percent yield.
Reference: [1] Patent: WO2010/126851, 2010, A1, . Location in patent: Page/Page column 77-78
[2] Patent: WO2010/126811, 2010, A1, . Location in patent: Page/Page column 144-145
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