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[ CAS No. 1145678-74-5 ]

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Chemical Structure| 1145678-74-5
Chemical Structure| 1145678-74-5
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Product Details of [ 1145678-74-5 ]

CAS No. :1145678-74-5 MDL No. :MFCD22573954
Formula : C16H16N2O2S Boiling Point : 516.6±52.0°C at 3 mmHg
Linear Structure Formula :- InChI Key :-
M.W :300.38 g/mol Pubchem ID :67262154
Synonyms :

Safety of [ 1145678-74-5 ]

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

Application In Synthesis of [ 1145678-74-5 ]

  • Upstream synthesis route of [ 1145678-74-5 ]
  • Downstream synthetic route of [ 1145678-74-5 ]

[ 1145678-74-5 ] Synthesis Path-Upstream   1~6

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YieldReaction ConditionsOperation in experiment
78% With ammonia; hydrogen In methanol at 20℃; for 6 h; A mixture of 1-tosyl-1 H-indole-4-carbonitrile (0.5 g, 1.69 mmol), 5percent NH3 in methanol (5.0 mL) and Raney Nickel (0.2 g) in methanol (15.0 ml) was hydrogenated at 5 Torr for 6 h at it After completion of the reaction, the Raney Nickel was filtered off through a pad of celite under vacuum and washed with methanol (5 x 2 mL). The combined filtrates were evaporated to dryness under reduced pressure. The residue was washed with 10 percent diethyl ether in pentane to yield the title compound as a white solid (0.45 g, 78 percent). [1H-NMR (CDCI3, 300 MHz): δ 7.72-7.59 (m, 3H), 7.44-7.52 (m, 1 H), 7.33-6.72 (m, 5 H), 4.12-4.01 (m, 2H), 2.27 (s, 3H)].
Reference: [1] Patent: WO2011/76747, 2011, A1, . Location in patent: Page/Page column 71
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YieldReaction ConditionsOperation in experiment
100% With ammonium chloride; zinc In ethanolReflux step 3: To a solution of 44 (620 mg, 2 mmol) in EtOH (15 mL) was added zinc powder (320 mg, 5.0 mmol) and NH4C1 (0.53 g, 10 mmol). The reaction mixture was heated at reflux overnight, filtered and the filtrate was concentrated to dryness. The residue was diluted with DCM (100 mL) and water (20 mL). The organic layer was separated, dried (MgSO i), filtered and concentrated to afford 600 mg (100percent) of (1- tosyl-lH-indol-4-yl)methanamine (46) as yellow syrup: MS (ESI) m/z = 284.1 [M-15] +.
Reference: [1] Patent: WO2013/26914, 2013, A1, . Location in patent: Page/Page column 128
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Reference: [1] Patent: WO2011/76747, 2011, A1,
[2] Patent: WO2013/26914, 2013, A1,
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Reference: [1] Patent: WO2011/76747, 2011, A1,
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Reference: [1] Patent: WO2013/26914, 2013, A1,
  • 6
  • [ 79681-04-2 ]
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Reference: [1] Patent: WO2013/26914, 2013, A1,
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