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[ CAS No. 1532593-30-8 ]

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Chemical Structure| 1532593-30-8
Chemical Structure| 1532593-30-8
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Product Details of [ 1532593-30-8 ]

CAS No. :1532593-30-8 MDL No. :MFCD28167822
Formula : C21H19N3O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :441.52 g/mol Pubchem ID :70701426
Synonyms :

1. ML355

Safety of [ 1532593-30-8 ]

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 [ 1532593-30-8 ]

  • Downstream synthetic route of [ 1532593-30-8 ]

[ 1532593-30-8 ] Synthesis Path-Downstream   1~13

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YieldReaction ConditionsOperation in experiment
7V-(benzo[d]thiazol-2-yl)-4-((2-hydroxy-3- methoxybenzyl)amino)benzenesulfonamide (Step VII, representative example) (35, ML355): 4- amino-N-(benzo[d]thiazol-2-yl)benzenesulfonamide (0.10 g, 0.33 mmol), 2-hydroxy-3- methoxybenzaldehyde (0.075 g, 0.491 mmol) were heated in EtOH (1.5 mL) at 90 C for 18 h. The reaction mixture was allowed to cool to room temperature before the addition of NaB (0.04 g, 0.98 mmol), and stirred for an additional 6 h. After this time, the reaction mixture was quenched with methanol and water then stirred for 20 min, the solids were filtered through celite, the filtrate collected, and concentrated under reduced pressure to provide a yellow solid. The crude material was purified using a prep-HPLC (gradient 10-100%) acetonitrile w/ 0.1 %> TFA in water w/ 0.1 %> TFA) to give the desired product. 1H NMR (400 MHz, DMSO-d6) delta 12.86 (s, 1H), 8.73 (d, J= 0.5 Hz, 1H), 7.75 (ddd, J= 0.6, 1.2, and 7.9 Hz, 1H), 7.54-7.46 (m, 2H), 7.40-7.31 (m, 1H), 7.28-7.16 (m, 2H), 6.93-6.79 (m, 2H), 6.78-6.55 (m, 4H), 4.23 (d, J= 5.8 Hz, 2H) and 3.78 (s, 3H); 13C NMR (DMSO- e) delta ppm 152.4, 147.7, 144.3, 128.2, 125.7, 122.9, 120.4, 119.0, 111.4, 110.9, 56.2 and 40.6; LC-MS retention time (Method 1): 2.260 min; HRMS: m/z (M+H)+ = (Calculated for C21H19N3O4S2, 441.0817) found 441.0819.
Compound 4 (0.10 g, 0.33 mmol) and 2-hydroxy-3-methoxybenzaldehyde (0.075 g, 0.491 mmol) were heated and refluxed in 1.5 ml of ethanol for 18 hours.After cooling to room temperature, sodium borohydride (0.04 g, 0.98 mmol) was added and stirring was continued for 6 h then quenched with 1 ml of methanol and 1 ml of water and stirring was continued for 20 min. The filtrate was concentrated to dryness and purified by preparative HPLC to give Compound 5.
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  • C27H27N3O10S2 [ No CAS ]
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  • C41H45N3O15S2 [ No CAS ]
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  • C38H41N3O15S2 [ No CAS ]
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  • C32H35N3O12S2 [ No CAS ]
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  • [ 24424-99-5 ]
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  • C26H27N3O6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In tetrahydrofuran; at 0 - 25℃; for 6h; Compound 5 (20 g, 45.3 mmol) and triethylamine (9.17 g, 90.66 mmol) were dissolved in 100 mL of tetrahydrofuran.(Boc) 2O (12.85 g, 58.89 mmol) was added slowly at 0 C.The resulting mixture was stirred at 25 C for 6 hours. After concentration, the obtained crude material was purified by silica gel column chromatographyCompound 6 can be obtained by purifying pure petroleum ether to a volume ratio of 1:1.
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