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[ CAS No. 100859-84-5 ]

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Chemical Structure| 100859-84-5
Chemical Structure| 100859-84-5
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Product Details of [ 100859-84-5 ]

CAS No. :100859-84-5 MDL No. :MFCD00221401
Formula : C6H5ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :156.57 g/mol Pubchem ID :2800022
Synonyms :

Safety of [ 100859-84-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 100859-84-5 ]

  • Upstream synthesis route of [ 100859-84-5 ]
  • Downstream synthetic route of [ 100859-84-5 ]

[ 100859-84-5 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 33252-30-1 ]
  • [ 100859-84-5 ]
YieldReaction ConditionsOperation in experiment
72%
Stage #1: With caesium carbonate In 2-pyrrolidinon at 130℃; for 2 h; Sealed vessel
Stage #2: With methanol In 2-pyrrolidinon; dichloromethane at 20℃; Filtering through Celite pad
General procedure: A flame-dried resealable 2-5 mL Pyrex reaction vessel was charged with the solid reactant(s): (hetero)aryl nitriles 1 (1.0 mmol) and Cs2CO3 (1.5 mmol). The reaction vessel was capped with a rubber septum, and pyrrolidinone (2 mL per mmol [0.5 M]) was added through the septum. The septum was replaced with a teflon screwcap. The reaction vessel was sealed and heated at 130 °C for 2 h. The resulting suspension was cooled to room temperature and filtered through a pad of celite eluting with CH2Cl2/MeOH (7:3), and the inorganic salts were removed. The filtrate was concentrated and purification of the residue by silica gel column chromatography gave the desired product.
Reference: [1] Organic Letters, 2014, vol. 16, # 4, p. 1060 - 1063
[2] Green Chemistry, 2016, vol. 18, # 18, p. 4865 - 4870
[3] Green Chemistry, 2014, vol. 16, # 4, p. 2136 - 2141
[4] Tetrahedron Letters, 2012, vol. 53, # 23, p. 2860 - 2863
  • 2
  • [ 6313-54-8 ]
  • [ 100859-84-5 ]
Reference: [1] Patent: WO2006/35967, 2006, A1, . Location in patent: Page/Page column 90-91
  • 3
  • [ 65287-34-5 ]
  • [ 100859-84-5 ]
Reference: [1] Journal of Organic Chemistry, 1958, vol. 23, p. 64
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