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[ CAS No. 53312-79-1 ]

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Chemical Structure| 53312-79-1
Chemical Structure| 53312-79-1
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CAS No. :53312-79-1 MDL No. :MFCD00017089
Formula : C7H5ClN2 Boiling Point : 292°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :152.58 g/mol Pubchem ID :104464
Synonyms :

Safety of [ 53312-79-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H317-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 53312-79-1 ]

  • Upstream synthesis route of [ 53312-79-1 ]
  • Downstream synthetic route of [ 53312-79-1 ]

[ 53312-79-1 ] Synthesis Path-Upstream   1~7

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YieldReaction ConditionsOperation in experiment
97% With sodium hydrogen sulfide In tetrahydrofuran; water at 45℃; Example 1; Preparation of N-(1-(5-cyano-2-(3,5-dichlorophenoxy)phenylsulfonyl)piperidin-4-yl)-3-fluorobenzenesulfonamide (25) Commercially available 4-chloro-3-benzonitrile was dissolved in 4 parts THF. One part water was added with sodium hydrosulfide (3 eq.) and stirred overnight at 45° C. TLC (25percent EtOAc in hexanes) confirmed completion of the reaction. THF was evaporated in vacuo and the product precipitated. The white solid was collected via vacuum filtration, washed with water and dried in a vacuum oven with gentle heating (97.0percent yield).
Reference: [1] Patent: US2011/230487, 2011, A1, . Location in patent: Page/Page column 35
[2] Synlett, 2010, # 20, p. 3019 - 3022
[3] Patent: US2012/196824, 2012, A1,
[4] Recueil des Travaux Chimiques des Pays-Bas, 1947, vol. 66, p. 369[5] Chem.Abstr., 1948, vol. 42, p. 148
[6] Patent: US2003/139390, 2003, A1,
[7] Chemical Communications, 2015, vol. 51, # 61, p. 12197 - 12200
[8] Chemical Communications, 2015, vol. 51, # 66, p. 13086 - 13089
[9] RSC Advances, 2016, vol. 6, # 27, p. 23038 - 23047
[10] ACS Catalysis, 2016, vol. 6, # 11, p. 7844 - 7854
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  • [ 7732-18-5 ]
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Reference: [1] Patent: US5744643, 1998, A,
[2] Patent: US5744643, 1998, A,
  • 3
  • [ 939-80-0 ]
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Reference: [1] Tetrahedron Letters, 1995, vol. 36, # 51, p. 9305 - 9308
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Reference: [1] Patent: US4091011, 1978, A,
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Reference: [1] RSC Advances, 2016, vol. 6, # 27, p. 23038 - 23047
  • 6
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  • [ 942199-56-6 ]
Reference: [1] RSC Advances, 2016, vol. 6, # 27, p. 23038 - 23047
  • 7
  • [ 53312-79-1 ]
  • [ 385432-46-2 ]
Reference: [1] Patent: WO2017/69980, 2017, A1,
[2] Patent: WO2017/117393, 2017, A1,
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