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[ CAS No. 251101-36-7 ]

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Chemical Structure| 251101-36-7
Chemical Structure| 251101-36-7
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Product Details of [ 251101-36-7 ]

CAS No. :251101-36-7 MDL No. :MFCD03411690
Formula : C7H8N2O Boiling Point : 290.8°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :136.15 g/mol Pubchem ID :2762489
Synonyms :

Safety of [ 251101-36-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 251101-36-7 ]

  • Upstream synthesis route of [ 251101-36-7 ]
  • Downstream synthetic route of [ 251101-36-7 ]

[ 251101-36-7 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 251101-36-7 ]
  • [ 80935-77-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 12, p. 3559 - 3572
  • 2
  • [ 4021-12-9 ]
  • [ 251101-36-7 ]
YieldReaction ConditionsOperation in experiment
63% With ammonium hydroxide; thionyl chloride In water at 20℃; for 3 h; Reflux A solution of 3-methyl-4-nicotinic acid (0.5 g, 3.6 mmol) in thionylchloride (3 mL) was heated to reflux for 3 h. Then thionyl chloride wasevaporated, the solid acid chloride was added in portions to an ammoniumhydroxide solution (30 mL, 25percent in water) under ice bath.Slowly warming the mixture to room temperature and stirred for10 min, the solvent was concentrated, and the resulting residue waspurified by flash column chromatography on silica gel (MeOH/CH2Cl21:40) to yield the white solid (63percent). 1H NMR (400 MHz, CD3OD) δ8.50–8.48 (m, 1H), 8.46–8.44 (m, 1H), 7.42 (d, J=5.0 Hz, 1H), 2.45(s, 3H).
Reference: [1] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 12, p. 3559 - 3572
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 4, p. 1682 - 1697
[3] Patent: US2014/18360, 2014, A1,
[4] Chemistry - A European Journal, 2016, vol. 22, # 24, p. 8301 - 8308
  • 3
  • [ 64915-79-3 ]
  • [ 251101-36-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 4, p. 1682 - 1697
[2] Patent: US2014/18360, 2014, A1, . Location in patent: Paragraph 0153
[3] Chemistry - A European Journal, 2016, vol. 22, # 24, p. 8301 - 8308
  • 4
  • [ 222191-28-8 ]
  • [ 251101-36-7 ]
YieldReaction ConditionsOperation in experiment
495 mg With dihydrogen peroxide; sodium hydroxide In water for 0.166667 h; The aldehyde 14 (800 mg, 6.61 mmol) was added to a solution of hydroxylamine hydrochloride (725 mg, 10.5 mmol) in DMSO (15 mL), and the resulting reaction mixture was stirred and heated for 30 min at 100 °C. The heat was then removed. Sodium hydroxide (600 mg) was dissolved in distilled water (5 mL) and the resulting solution was slowly added to the reaction mixture over a 2-min period with stirring, followed by the slow and careful addition of H2O2 (50percent, 4 mL) over a 5-min period. The reaction mixture was further stirred for 5 min, quenched with distilled water (30 mL), and then extracted with ethyl acetate (50 mL). The organic layer was separated, dried over anhydrous Na2SO4, and evaporated under reduced pressure to afford a white solid (495 mg, 70.4percent). The solid (135 mg, 1.00 mmol) and Lawesson's reagent (490 mg, 1.20 mmol) were added to dry THF (15 mL). The reaction mixture was stirred at 50 °C for 3 h. The solvent was evaporated under reduced pressure and the residue was partitioned between aqueous NaHCO3 (25 mL) and ethyl acetate (25 mL). The organic solvent was separated and dried over anhydrous Na2SO4. The crude product was purified by silica gel flash chromatography, using dichloromethane-methanol (9:1), to yield the corresponding thioamide as a yellow solid (82 mg, 54percent).
Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 7, p. 2427 - 2434
  • 5
  • [ 583-58-4 ]
  • [ 251101-36-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 4, p. 1682 - 1697
[2] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 7, p. 2427 - 2434
[3] Patent: US2014/18360, 2014, A1,
[4] Chemistry - A European Journal, 2016, vol. 22, # 24, p. 8301 - 8308
  • 6
  • [ 74663-96-0 ]
  • [ 251101-36-7 ]
Reference: [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 7, p. 2427 - 2434
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