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[ CAS No. 77342-93-9 ]

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2D
Chemical Structure| 77342-93-9
Chemical Structure| 77342-93-9
Structure of 77342-93-9 *Storage: {[proInfo.prStorage]}

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Product Details of [ 77342-93-9 ]

CAS No. :77342-93-9MDL No. :MFCD03789633
Formula : C6H10O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :114.14Pubchem ID :10129928
Synonyms :

Computed Properties of [ 77342-93-9 ]

TPSA : 26.3 H-Bond Acceptor Count : 2
XLogP3 : 0 H-Bond Donor Count : 0
SP3 : 0.83 Rotatable Bond Count : 1

Safety of [ 77342-93-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 77342-93-9 ]

  • Upstream synthesis route of [ 77342-93-9 ]
  • Downstream synthetic route of [ 77342-93-9 ]

[ 77342-93-9 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 13417-49-7 ]
  • [ 77342-93-9 ]
YieldReaction ConditionsOperation in experiment
91.6% With palladium 10% on activated carbon; hydrogen In methanol 10percent Pd/C (600 mg) was slowly added to a solution of Compound-2 (6 g, 53.5 mmol) in methanol (10 mL) and the mixture was stirred under hydrogen(40 psi). The reaction mixture was filtered through celite, the precipitate was rinsed with methanol and the filtrate was concentrated under vacuum. The residue was purified by fractional distillation at 125 °C/20 mm Hg to obtain Compound-3 (5.5 g, 91.6percent). MS (m/z): [M + H]+,115.1.
91.6% With palladium 10% on activated carbon; hydrogen In methanol 10percent Pd/C (600 mg) was slowly added to a solution of Compound-2 (6 g, 53.5 mmol) in methanol (10 mL) and the mixture was stirred under hydrogen (40 psi). The reaction mixture was filtered through celite, the precipitate was rinsed with methanol and the filtrate was concentrated under vacuum. The residue was purified by fractional distillation at 125 °C/20 mm Hg to obtain Compound-3 (5.5 g, 9 1.6percent). MS (m/z): [M + H1, 115.1.
Reference: [1] Molecular Pharmacology, 2015, vol. 87, # 3, p. 477 - 491
[2] Patent: WO2016/85939, 2016, A2, . Location in patent: Paragraph 00260
[3] Patent: US5071863, 1991, A,
[4] Chemistry and Industry (London, United Kingdom), 1955, p. 1772
[5] Chemistry and Industry (London, United Kingdom), 1955, p. 1772
[6] Patent: US2514156, 1946, ,
[7] Patent: US2514156, 1946, ,
[8] Patent: WO2008/101867, 2008, A1, . Location in patent: Page/Page column 67
  • 2
  • [ 110-87-2 ]
  • [ 50-00-0 ]
  • [ 142-68-7 ]
  • [ 100-72-1 ]
  • [ 14774-36-8 ]
  • [ 19611-45-1 ]
  • [ 77342-93-9 ]
Reference: [1] Transition Metal Chemistry, 2013, vol. 38, # 7, p. 787 - 792
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