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[ CAS No. 87120-72-7 ]

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Chemical Structure| 87120-72-7
Chemical Structure| 87120-72-7
Structure of 87120-72-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 87120-72-7 ]

CAS No. :87120-72-7 MDL No. :MFCD01076201
Formula : C10H20N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :200.28 g/mol Pubchem ID :1268291
Synonyms :

Safety of [ 87120-72-7 ]

Signal Word:Warning Class:
Precautionary Statements:P305+P351+P338 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 87120-72-7 ]

  • Upstream synthesis route of [ 87120-72-7 ]
  • Downstream synthetic route of [ 87120-72-7 ]

[ 87120-72-7 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 87120-72-7 ]
  • [ 53786-28-0 ]
Reference: [1] Journal of Medicinal Chemistry, 2018, vol. 61, # 19, p. 8895 - 8907
  • 2
  • [ 87120-72-7 ]
  • [ 182223-54-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 3, p. 1021 - 1046
[2] Patent: WO2011/60321, 2011, A1,
[3] Patent: US2013/65925, 2013, A1,
[4] Patent: EP2757103, 2014, A1,
[5] European Journal of Medicinal Chemistry, 2017, vol. 132, p. 26 - 41
[6] Patent: CN102250075, 2016, B,
  • 3
  • [ 87120-72-7 ]
  • [ 127285-08-9 ]
Reference: [1] European Journal of Medicinal Chemistry, 2017, vol. 132, p. 26 - 41
  • 4
  • [ 917-61-3 ]
  • [ 87120-72-7 ]
  • [ 205058-11-3 ]
YieldReaction ConditionsOperation in experiment
47%
Stage #1: With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 17 h;
Stage #2: With acetic acid In dichloromethane at 0 - 20℃; for 16 h;
tert-Butyl 4-(1,2-dihydro-2-oxo-5-phenylimidazol-3-yl)piperidine-1-carboxylate; tert-Butyl 4-(1,2-dihydro-2-oxo-5-phenylimidazol-3-yl)piperidine-1-carboxylate was synthesised as described in J. Med. Chem., 2005, 48, 5921. A solution of 2-bromo-1-phenylethanone (5 g, 25 mmol) in DCM (10 ml) was added dropwise to a stirred solution of tert-butyl 4-aminopiperidine-1-carboxylate (6 g, 30 mmol) and DiPEA (9.84 ml, 57.5 ml) in DCM (50 ml) over 1 hour, the reaction mixture was then stirred at room temperature for 16 hours. Sodium cyanate (3.41 g, 52.5 mmol) was added, the reaction mixture was then cooled to 0° C., the pH was brought to pH 4 with acetic acid and the reaction mixtures was stirred from 0° C. to RT over 16 hours. The reaction mixture was poured into water and extracted with DCM (3.x.). Organics combined, washed with water (3.x.), brine, dried (MgSO4) and evaporated to dryness. The residue was triturated with ether, filtered and the solid was washed with ether to give a pale yellow solid (4.04 g, 47percent). LC/MS (10percent to 99percent): M/Z (M+H)+ (obs)=344; tR=3.01.
Reference: [1] Patent: US2008/4261, 2008, A1, . Location in patent: Page/Page column 137
  • 5
  • [ 2142-69-0 ]
  • [ 917-61-3 ]
  • [ 87120-72-7 ]
  • [ 205058-11-3 ]
Reference: [1] Patent: US2018/50992, 2018, A1, . Location in patent: Paragraph 1388
  • 6
  • [ 917-61-3 ]
  • [ 87120-72-7 ]
  • [ 70-11-1 ]
  • [ 205058-11-3 ]
Reference: [1] Patent: US6344/449, 2002, B1, . Location in patent: Example A1a)
[2] Patent: US6344449, 2002, B1, . Location in patent: Example A1a)
  • 7
  • [ 87120-72-7 ]
  • [ 124-63-0 ]
  • [ 287953-38-2 ]
YieldReaction ConditionsOperation in experiment
91% With pyridine In pyridine at 20℃; for 16 h; Cooling with ice 5.00 g (25.0 mmol) of BOC-4-aminopiperidine are dissolved in pyridine (19.8 mL) and cooled in an ice bath. 2.13 mL (27.5 mmol) of methanesulfonyl chloride are added slowly.
The reaction is stirred at RT for 16 h.
After diluting with water, the reaction is extracted with DCM.
Organic layers are washed with water, dried with MgSO4 and filtered.
The solvent is removed under reduced pressure to afford 6.30 g of (1-Methanesulfonyl-piperidin-4-yl)-carbamic acid tert-butyl ester. Yield: 91percent; ESI-MS: 279 [M+H]+
Reference: [1] Patent: US8865744, 2014, B1, . Location in patent: Page/Page column 25; 26
  • 8
  • [ 87120-72-7 ]
  • [ 950649-10-2 ]
Reference: [1] Patent: WO2007/106705, 2007, A1,
  • 9
  • [ 87120-72-7 ]
  • [ 1174020-64-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 3, p. 780 - 785
[2] Patent: WO2015/33191, 2015, A1,
[3] Patent: US10085999, 2018, B1,
  • 10
  • [ 87120-72-7 ]
  • [ 1048970-17-7 ]
Reference: [1] Journal of the American Chemical Society, 2018, vol. 140, # 34, p. 10700 - 10704
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