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[ CAS No. 57266-69-0 ]

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2D
Chemical Structure| 57266-69-0
Chemical Structure| 57266-69-0
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Product Details of [ 57266-69-0 ]

CAS No. :57266-69-0MDL No. :MFCD01646325
Formula : C6H4ClNO2 Boiling Point : 297.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :157.55Pubchem ID :824632
Synonyms :

Computed Properties of [ 57266-69-0 ]

TPSA : 50.2 H-Bond Acceptor Count : 3
XLogP3 : 1.3 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 57266-69-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P305+P351+P338UN#:N/A
Hazard Statements:H302-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 57266-69-0 ]

  • Upstream synthesis route of [ 57266-69-0 ]
  • Downstream synthetic route of [ 57266-69-0 ]

[ 57266-69-0 ] Synthesis Path-Upstream   1~12

  • 1
  • [ 38180-46-0 ]
  • [ 57266-69-0 ]
Reference: [1] Patent: US4853027, 1989, A,
[2] Patent: CN105218437, 2016, A, . Location in patent: Paragraph 0007
  • 2
  • [ 1702-17-6 ]
  • [ 98-98-6 ]
  • [ 57266-69-0 ]
Reference: [1] Electrochimica Acta, 2016, vol. 210, p. 762 - 772
[2] Electrochimica Acta, 2016, vol. 210, p. 762 - 772
  • 3
  • [ 72093-03-9 ]
  • [ 57266-69-0 ]
Reference: [1] Journal of Medicinal Chemistry, 1998, vol. 41, # 11, p. 1827 - 1837
  • 4
  • [ 98-98-6 ]
  • [ 57266-69-0 ]
Reference: [1] Tetrahedron, 2002, vol. 58, # 33, p. 6723 - 6728
  • 5
  • [ 462-08-8 ]
  • [ 57266-69-0 ]
Reference: [1] Patent: CN105218437, 2016, A,
  • 6
  • [ 2402-77-9 ]
  • [ 57266-69-0 ]
Reference: [1] Patent: CN105218437, 2016, A,
  • 7
  • [ 57841-92-6 ]
  • [ 57266-69-0 ]
Reference: [1] Synthetic Communications, 1997, vol. 27, # 6, p. 1075 - 1086
  • 8
  • [ 10354-53-7 ]
  • [ 57266-69-0 ]
Reference: [1] Synthetic Communications, 1997, vol. 27, # 6, p. 1075 - 1086
  • 9
  • [ 1462-86-8 ]
  • [ 57266-69-0 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1932, vol. <2> 133, p. 36,49
  • 10
  • [ 57266-69-0 ]
  • [ 114080-95-4 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1932, vol. <2> 133, p. 36,49
  • 11
  • [ 57266-69-0 ]
  • [ 60588-81-0 ]
YieldReaction ConditionsOperation in experiment
47%
Stage #1: With isopropyl chloroformate; triethylamine In tetrahydrofuran at 0 - 20℃; for 1 h;
Stage #2: at 20℃; for 2 h;
To a solution of 3-chloropyridine-2-carboxylic acid (2.1 g, 13.33 mmol, 1.00 equiv) in THF (40 mL) was added Et3N (2.7 g, 26.68 mmol, 2.00 equiv), followed by the addition of chloro(propan-2-yloxy)methanone (2.45 g, 19.99 mmol, 1.50 equiv) dropwise with stirring at 0° C.
The solution was strried for 1 h at room temperture.
The solid was removed by filtration.
To the filtrate was added NaBH4 (1.53 g, 40.44 mmol, 3.00 equiv).
The resulting solution was stirred for 2 h at rt, then diluted with 50 mL of H2O and extracted with 2*100 mL of EtOAc.
The combined organic layers were washed with 50 mL of saturated Nacl, dried over Na2SO4, concentrated under vacuum, and purified with silica gel chromatography using with EtOAc/petroleum ether (1:6) to afford 0.9 g (47percent) of the title compound as a colorless oil.
Reference: [1] Patent: US2018/162822, 2018, A1, . Location in patent: Paragraph 0606
[2] Journal of Medicinal Chemistry, 1998, vol. 41, # 11, p. 1827 - 1837
  • 12
  • [ 57266-69-0 ]
  • [ 206181-90-0 ]
Reference: [1] Journal of Medicinal Chemistry, 1998, vol. 41, # 11, p. 1827 - 1837
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