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[ CAS No. 30062-49-8 ] {[proInfo.proName]}

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Chemical Structure| 30062-49-8
Chemical Structure| 30062-49-8
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CAS No. :30062-49-8 MDL No. :MFCD00173722
Formula : C5H9N3S2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 175.28 Pubchem ID :-
Synonyms :

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* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 30062-49-8 ]

[ 30062-49-8 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 30062-49-8 ]
  • [ 31686-94-9 ]
  • [ 104-88-1 ]
  • 5-(4-chlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-(propylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one [ No CAS ]
  • 2
  • [ 30062-49-8 ]
  • [ 5814-38-0 ]
  • [ 104-88-1 ]
  • [ 1309650-77-8 ]
  • 3
  • [ 30062-49-8 ]
  • [ 5814-38-0 ]
  • [ 459-57-4 ]
  • [ 1309650-79-0 ]
  • 4
  • [ 30062-49-8 ]
  • [ 5814-38-0 ]
  • [ 1122-91-4 ]
  • 5-(4-bromophenyl)-4-(4-chlorobenzoyl)-3-hydroxy-1-(5-(propylthio)-1,3,4-thiadiazol-2-yl)-1H-pyrrol-2(5H)-one [ No CAS ]
  • 5
  • [ 30062-49-8 ]
  • [ 5814-38-0 ]
  • [ 587-04-2 ]
  • 3-(4-chlorobenzoyl)-4-(3-chlorophenyl)-2-hydroxy-5-(5-(propylthio)-1,3,4-thiadiazol-2-yl)cyclopent-2-enone [ No CAS ]
  • 6
  • [ 30062-49-8 ]
  • [ 5814-38-0 ]
  • [ 555-16-8 ]
  • [ 1309650-78-9 ]
  • 7
  • [ 30062-49-8 ]
  • [ 15687-27-1 ]
  • 2-(4-isobutylphenyl)-N-(5-(propylthio)-1,3,4-thiadiazol-2-yl)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% Stage #1: 2-amino-5-n-propyl-mercapto-1,3,4-thiadiazole; ibuprofen With dmap In tetrahydrofuran; dichloromethane at 20℃; for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 1.3h; 4.1.2. General procedure for the preparation of target compounds (5a-j) General procedure: An ice-cooled solution of Ibuprofen/flurbiprofen (5.0 mmol) wasprepared in anhydrous DCM (8 mL). Afterwards, a solution prepared bydissolving DMAP (0.5 mmol) and an appropriate amine (3a-e, 5.0mmol) in THF (10 mL) was added with vigorous stirring at room temperaturein about 10 min. Dropwise addition of DCC (5.0 mmol) dissolvedin 2 mL anhydrous DCM at 0 C was monitored carefully for about20 min, then continued stirring for one hour at the similar temperaturewhile, overnight at RT with aluminum foil wrapped around the flask.After completion of reaction, filtered the white precipates of DCU andextracted the filtrate using DCM. The lower layer i.e. organic layer then treated through 0.5 N HCl (2 × 50 mL), 10% solution of NaHCO3 (2 ×50.0 mL) and water, dried over anhydrous Na2SO4, leading to theevaporation of extra solvent under vacuum to get solid precipitates,recrystallized with methanol: chloroform (6:1) to yield shiny crystals ofcompounds 5a-j. The obtained compounds were characterized physicallyas well as chemically. Rf values presented below were calculated inethyl acetate: n-hexane (1:3)4.1.2.1. 2-(4-isobutylphenyl)-N-(5- (propylthio)-1,3,4-thiadiazol-2-yl)propanamide (5a). Physical Data: Yield: 72%; melting point: 118 C; Rf= 0.46, FTIR (cm1): 3159, 3036, 2940, 1698, 1557, 1507. 1HNMR(CDCl3, 300 MHz, δ ppm) data: 0.85 (6H, d, J = 6.3 Hz, H-1,2), 1.02 (3H,t, J = 7.2 Hz, H-18), 1.59 (3H, d, J = 6.9 Hz, H-12), 1.82 (3H, m, H-3,17), 2.39 (2H, d, J = 7.2 Hz, H-4), 3.22 (2H, t, J = 7.2 Hz, H-16), 4.23(1H, q, J = 6.9 Hz, H-11), 7.04 (2H, d, J = 8.1 Hz, H-6,8), 7.39 (2H, d, J= 8.1 Hz, H-7,9), 12.9 (1H, s, N-H); 13C NMR (CDCl3, 75 MHz, δ ppm)data: 13.24 (C-18), 18.71 (C-12), 22.36 (C-17), 22.89 (C-1,2), 30.10 (C-3), 36.18 (C-16), 45.01 (C-11), 45.90 (C-4), 127.4 (C-6,8), 129.5 (C-7,9),137.3 (C-10), 141.0 (C-5), 159.4 (C-14), 160.6 (C-15), 173.1 (C-13);Anal Calcd For C18H25 N3OS2: C, 59.50; H, 6.88; N, 11.57; Found C,59.41; H, 6.76; N, 11.49.
72% Stage #1: 2-amino-5-n-propyl-mercapto-1,3,4-thiadiazole; ibuprofen With dmap In tetrahydrofuran; dichloromethane at 20℃; for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 1.3h; 4.1.2. General procedure for the preparation of target compounds (5a-j) General procedure: An ice-cooled solution of Ibuprofen/flurbiprofen (5.0 mmol) wasprepared in anhydrous DCM (8 mL). Afterwards, a solution prepared bydissolving DMAP (0.5 mmol) and an appropriate amine (3a-e, 5.0mmol) in THF (10 mL) was added with vigorous stirring at room temperaturein about 10 min. Dropwise addition of DCC (5.0 mmol) dissolvedin 2 mL anhydrous DCM at 0 C was monitored carefully for about20 min, then continued stirring for one hour at the similar temperaturewhile, overnight at RT with aluminum foil wrapped around the flask.After completion of reaction, filtered the white precipates of DCU andextracted the filtrate using DCM. The lower layer i.e. organic layer then treated through 0.5 N HCl (2 × 50 mL), 10% solution of NaHCO3 (2 ×50.0 mL) and water, dried over anhydrous Na2SO4, leading to theevaporation of extra solvent under vacuum to get solid precipitates,recrystallized with methanol: chloroform (6:1) to yield shiny crystals ofcompounds 5a-j. The obtained compounds were characterized physicallyas well as chemically. Rf values presented below were calculated inethyl acetate: n-hexane (1:3)4.1.2.1. 2-(4-isobutylphenyl)-N-(5- (propylthio)-1,3,4-thiadiazol-2-yl)propanamide (5a). Physical Data: Yield: 72%; melting point: 118 C; Rf= 0.46, FTIR (cm1): 3159, 3036, 2940, 1698, 1557, 1507. 1HNMR(CDCl3, 300 MHz, δ ppm) data: 0.85 (6H, d, J = 6.3 Hz, H-1,2), 1.02 (3H,t, J = 7.2 Hz, H-18), 1.59 (3H, d, J = 6.9 Hz, H-12), 1.82 (3H, m, H-3,17), 2.39 (2H, d, J = 7.2 Hz, H-4), 3.22 (2H, t, J = 7.2 Hz, H-16), 4.23(1H, q, J = 6.9 Hz, H-11), 7.04 (2H, d, J = 8.1 Hz, H-6,8), 7.39 (2H, d, J= 8.1 Hz, H-7,9), 12.9 (1H, s, N-H); 13C NMR (CDCl3, 75 MHz, δ ppm)data: 13.24 (C-18), 18.71 (C-12), 22.36 (C-17), 22.89 (C-1,2), 30.10 (C-3), 36.18 (C-16), 45.01 (C-11), 45.90 (C-4), 127.4 (C-6,8), 129.5 (C-7,9),137.3 (C-10), 141.0 (C-5), 159.4 (C-14), 160.6 (C-15), 173.1 (C-13);Anal Calcd For C18H25 N3OS2: C, 59.50; H, 6.88; N, 11.57; Found C,59.41; H, 6.76; N, 11.49.
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