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[ CAS No. 636-53-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 636-53-3
Chemical Structure| 636-53-3
Structure of 636-53-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 636-53-3 ]

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SDS

Product Details of [ 636-53-3 ]

CAS No. :636-53-3MDL No. :MFCD01717556
Formula : C12H14O4 Boiling Point : 302°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :222.24Pubchem ID :12491
Synonyms :

Computed Properties of [ 636-53-3 ]

TPSA : 52.6 H-Bond Acceptor Count : 4
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.33 Rotatable Bond Count : 6

Safety of [ 636-53-3 ]

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

Application In Synthesis of [ 636-53-3 ]

  • Upstream synthesis route of [ 636-53-3 ]
  • Downstream synthetic route of [ 636-53-3 ]

[ 636-53-3 ] Synthesis Path-Upstream   1~10

  • 1
  • [ 121-91-5 ]
  • [ 109-63-7 ]
  • [ 636-53-3 ]
YieldReaction ConditionsOperation in experiment
69% at 120℃; for 4.00 h; General procedure: In a 50 mL two-necked round-bottomed flask equipped with a magnetic stirring bar, a reflux condenser and a calcium chloride drying tube was placed nicotinic acid (1 g, 8.1 mmol) suspended in boron trifluoride etherate (10 mL). The reaction mixture was stirred and heated to 120 °C overnight during which the creamy reaction mixture changed into a brownish solution. Thin layer chromatography (hexane/ethyl acetate 3:1) revealed complete reaction. The cooled reaction mixture was diluted with water (25 mL) and extracted with ethyl acetate (3 x 10 mL). The combined organic extract was washed to the end of effervescence with a saturated solution of NaHCO3. The organic phase was dried over anhydrous Na2SO4 and concentrated in vacuo giving a crude yield of 1.11 g (92percent).
Reference: [1] Bulletin of the Chemical Society of Ethiopia, 2018, vol. 32, # 2, p. 387 - 392
  • 2
  • [ 150-78-7 ]
  • [ 636-53-3 ]
Reference: [1] Journal of the American Chemical Society, 1997, vol. 119, # 21, p. 4846 - 4855
  • 3
  • [ 108-46-3 ]
  • [ 636-53-3 ]
Reference: [1] Chemistry - An Asian Journal, 2017, vol. 12, # 17, p. 2323 - 2331
  • 4
  • [ 64-67-5 ]
  • [ 121-91-5 ]
  • [ 636-53-3 ]
Reference: [1] Synthesis, 1985, # 1, p. 40 - 45
  • 5
  • [ 64-17-5 ]
  • [ 201230-82-2 ]
  • [ 636-53-3 ]
Reference: [1] Chemistry - An Asian Journal, 2017, vol. 12, # 17, p. 2323 - 2331
  • 6
  • [ 64-17-5 ]
  • [ 881-99-2 ]
  • [ 636-53-3 ]
Reference: [1] Dalton Transactions, 2016, vol. 45, # 25, p. 10173 - 10180
  • 7
  • [ 64-17-5 ]
  • [ 121-91-5 ]
  • [ 636-53-3 ]
Reference: [1] Journal of the Chemical Society, 1896, vol. 69, p. 1241[2] Journal of the Chemical Society, 1900, vol. 77, p. 278
[3] Justus Liebigs Annalen der Chemie, 1870, vol. 153, p. 285
  • 8
  • [ 64-17-5 ]
  • [ 99-63-8 ]
  • [ 636-53-3 ]
Reference: [1] Journal of Molecular Structure, 2000, vol. 554, # 2-3, p. 211 - 223
  • 9
  • [ 3725-40-4 ]
  • [ 623-47-2 ]
  • [ 84-66-2 ]
  • [ 636-53-3 ]
Reference: [1] Tetrahedron, 2004, vol. 60, # 7, p. 1683 - 1691
  • 10
  • [ 7732-18-5 ]
  • [ 36438-66-1 ]
  • [ 636-53-3 ]
Reference: [1] Chemische Berichte, 1884, vol. 17, p. 1423
[2] Die Imidoaether und ihre Derivate <Berlin 1892>, S. 77,
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