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[ CAS No. 3939-12-6 ]

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2D
Chemical Structure| 3939-12-6
Chemical Structure| 3939-12-6
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Product Details of [ 3939-12-6 ]

CAS No. :3939-12-6MDL No. :MFCD09261087
Formula : C6H3FN2 Boiling Point : 223.7°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :122.10Pubchem ID :15765964
Synonyms :

Computed Properties of [ 3939-12-6 ]

TPSA : 36.7 H-Bond Acceptor Count : 3
XLogP3 : 1 H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 3939-12-6 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3939-12-6 ]

  • Upstream synthesis route of [ 3939-12-6 ]
  • Downstream synthetic route of [ 3939-12-6 ]

[ 3939-12-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 33252-28-7 ]
  • [ 3939-12-6 ]
Reference: [1] Chemical Communications, 2018, vol. 54, # 7, p. 825 - 828
[2] Journal of Organic Chemistry, 2015, vol. 80, # 24, p. 12137 - 12145
  • 2
  • [ 3939-12-6 ]
  • [ 205744-17-8 ]
YieldReaction ConditionsOperation in experiment
85% With ammonia; hydrogen In methanol at 20℃; for 12 h; 6-fluoro-3-cyanopyridine (300 mg, 2.46 mmol)Dissolved in 2 mol / L ammonia / methanol solution (30 mL),Add Raney nickel (0.5g),H2 atmosphere at room temperature for 12 hours.After the reaction, the reaction solution was filtered through diatomaceous earth,Methanol rinse (5 mL x 2),The filtrate is evaporated to dryness,The residue was purified by silica gel column chromatography (dichloromethane: methanol = 100: 4)To give 262 mg of a yellow oily solid,The yield was 85percent.
Reference: [1] Patent: CN106916101, 2017, A, . Location in patent: Paragraph 0149; 0150
[2] Journal of Medicinal Chemistry, 2017, vol. 60, # 19, p. 7965 - 7983
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