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[ CAS No. 163808-09-1 ]

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Chemical Structure| 163808-09-1
Chemical Structure| 163808-09-1
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CAS No. :163808-09-1 MDL No. :MFCD00973373
Formula : C7H6N2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :134.14 g/mol Pubchem ID :1482202
Synonyms :

Safety of [ 163808-09-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 163808-09-1 ]

  • Upstream synthesis route of [ 163808-09-1 ]
  • Downstream synthetic route of [ 163808-09-1 ]

[ 163808-09-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 163808-13-7 ]
  • [ 163808-09-1 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogen In methanol at 20℃; b)
4-Aminobenzooxazole

The above crude 4-nitrobenzooxazole and Pd/C (5percent, 0.51 g) were suspended in MeOH (50 mL).
The mixture was shaken under H2 (50 psi) at room temperature overnight.
The mixture was filtered through a layer of celite, washed with MeOH.
The solvent was evaporated under reduced pressure to yield 6.87 g (100percent) as a light brown solid. 1H NMR (CDCl3): 7.96 (s, 1H), 7.16 (t, J=8.1 Hz, 1H), 6.95 (dd, J=0.9, 8.1 Hz, 1H), 6.61 (dd, J=0.6, 8.1 Hz, 1H), 4.33 (brs, 2H).
82% With palladium on activated charcoal; hydrogen In ethanol at 0 - 20℃; Inert atmosphere The compound obtained in Example 40-1 (600 mg, 3.66 mmol) Palladium on carbon (300 mg) was added at 0 under an argon atmosphere in ethanol (10 ml) solution of. After hydrogen substitution, and stirred at room temperature overnight. After completion of the reaction, it was filtered through Celite, and the filtrate was concentrated under reduced pressure. The residue was purified by silica gel column chromatography (hexane / ethyl acetate) to give the title compound (404 mg, 82percent).
Reference: [1] Patent: US2006/104998, 2006, A1, . Location in patent: Page/Page column 19
[2] Dalton Transactions, 2012, vol. 41, # 21, p. 6507 - 6515
[3] Patent: JP2016/124812, 2016, A, . Location in patent: Paragraph 0110; 0111
[4] Heterocycles, 1995, vol. 41, # 2, p. 345 - 352
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  • [ 603-85-0 ]
  • [ 163808-09-1 ]
Reference: [1] Heterocycles, 1995, vol. 41, # 2, p. 345 - 352
[2] Dalton Transactions, 2012, vol. 41, # 21, p. 6507 - 6515
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