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[ CAS No. 50533-97-6 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 50533-97-6
Chemical Structure| 50533-97-6
Chemical Structure| 50533-97-6
Structure of 50533-97-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 50533-97-6 ]

CAS No. :50533-97-6 MDL No. :MFCD00023144
Formula : C7H16N2 Boiling Point : -
Linear Structure Formula :- InChI Key :YFJAIURZMRJPDB-UHFFFAOYSA-N
M.W : 128.22 Pubchem ID :417391
Synonyms :

Safety of [ 50533-97-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P264-P271-P280-P301+P330+P331-P304+P340-P303+P361+P353-P305+P351+P338-P310-P363-P403+P233-P501 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 50533-97-6 ]

* 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.

  • Upstream synthesis route of [ 50533-97-6 ]
  • Downstream synthetic route of [ 50533-97-6 ]

[ 50533-97-6 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 506-59-2 ]
  • [ 79099-07-3 ]
  • [ 50533-97-6 ]
Reference: [1] Patent: US2005/43298, 2005, A1, . Location in patent: Page/Page column 28-29
[2] Patent: US2005/197333, 2005, A1, . Location in patent: Page/Page column 33
  • 2
  • [ 64168-08-7 ]
  • [ 50533-97-6 ]
Reference: [1] Patent: US3980788, 1976, A,
  • 3
  • [ 1122-58-3 ]
  • [ 50533-97-6 ]
Reference: [1] New Journal of Chemistry, 2008, vol. 32, # 6, p. 1027 - 1037
  • 4
  • [ 50533-97-6 ]
  • [ 1089279-91-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2016, vol. 59, # 10, p. 4948 - 4964
[2] Patent: KR2016/37844, 2016, A,
[3] Patent: EP3372594, 2018, A1,
[4] Patent: WO2010/138576, 2010, A1,
  • 5
  • [ 50533-97-6 ]
  • [ 1197160-66-9 ]
  • [ 1197160-78-3 ]
YieldReaction ConditionsOperation in experiment
88%
Stage #1: With 1,1'-carbonyldiimidazole In tetrahydrofuran at 50℃; for 2 h;
Stage #2: at 53℃; for 16 h;
To a slurry of 4-(3-(4-(4,6-dimorpholin-4-yl-1,3,5-triazine-2-yl)phenyl)ureido)benzoic acid (7, 45.5 g, 0.09 mol) in dry THF (1.6 L) heated to 50 0C was added N,N'-carbonyl diimidazole (28 g, 0.17 mol). The reaction mixture was heated for 2 hours and followed by dimethylaminopiperidine (8, 23.5 g, 0.18 mol) and stirred at 53 0C for 16 hours. The reaction mixture was cooled to the room temperature and filtered. The cake was washed with 2-propanol and air-dried to give 97 percent pure white powder in 88percent yield (49.2 g, 0.08 mol). To the solids stirred in dimethyl acetamide (DMAC, 165 ml) at 70° C for 1 hour was added 2-propanol (640 ml) and the mixture was stirred at 65 0C for additional 1 hour. The solids were filtered, washed with 2-propanol and dried in a vacuum oven at 700C for 16 hour to give crystalline white powder (45 g) with >;99percent purity. The above-mentioned work up process and crystallization procedure gave a Pd residue of 20 ppm.
Reference: [1] Patent: WO2010/96619, 2010, A1, . Location in patent: Page/Page column 29
[2] Journal of Medicinal Chemistry, 2010, vol. 53, # 6, p. 2636 - 2645
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