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[ CAS No. 49592-84-9 ]

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2D
Chemical Structure| 49592-84-9
Chemical Structure| 49592-84-9
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Product Details of [ 49592-84-9 ]

CAS No. :49592-84-9MDL No. :MFCD12913485
Formula : C8H10N2O2 Boiling Point : 334.5°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :166.18Pubchem ID :13066644
Synonyms :

Computed Properties of [ 49592-84-9 ]

TPSA : 78.3 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.13 Rotatable Bond Count : 2

Safety of [ 49592-84-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280UN#:N/A
Hazard Statements:H302-H312-H332Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 49592-84-9 ]

  • Upstream synthesis route of [ 49592-84-9 ]
  • Downstream synthetic route of [ 49592-84-9 ]

[ 49592-84-9 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 3816-62-4 ]
  • [ 49592-84-9 ]
YieldReaction ConditionsOperation in experiment
95% With 10% palladium on activated carbon; Degussa type; hydrogen In tetrahydrofuran for 24 h; Compound 8 (lg, 5.1mmol) dissolved in THF (50ml) in a Parr bottle and degassed. Pd/C (10percent, 150mg) was added and the flask purged and filled with hydrogen. Hydrogenated at 40psi for 24 hours. LC-MS shows the starting material was consumed. The catalyst was filtered off through Celite and washed with MeOH. The filtrate was concentrated to a brown oil. ~lg. >95percent yield.
Reference: [1] Patent: WO2015/138919, 2015, A1, . Location in patent: Page/Page column 50; 53
[2] Polish Journal of Chemistry, 1984, vol. 58, # 4/5/6, p. 411 - 424
[3] Journal of the American Chemical Society, 1954, vol. 76, p. 1114,1117
  • 2
  • [ 616-79-5 ]
  • [ 49592-84-9 ]
Reference: [1] Patent: WO2015/138919, 2015, A1,
  • 3
  • [ 67-56-1 ]
  • [ 610-74-2 ]
  • [ 49592-84-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 11, p. 2791 - 2795
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