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Chemical Structure| 16024-82-1 Chemical Structure| 16024-82-1

Structure of 16024-82-1

Chemical Structure| 16024-82-1

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Product Details of [ 16024-82-1 ]

CAS No. :16024-82-1
Formula : C9H7NO2S
M.W : 193.22
SMILES Code : O=C(OC)C1=CC=CC=C1N=C=S
MDL No. :MFCD00041062
InChI Key :UNXVHBOJSCWVCD-UHFFFAOYSA-N
Pubchem ID :85243

Safety of [ 16024-82-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H331-H302+H312
Precautionary Statements:P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P311-P321-P363-P403+P233-P405-P501
Class:8(6.1)
UN#:2922
Packing Group:

Application In Synthesis of [ 16024-82-1 ]

* 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 [ 16024-82-1 ]

[ 16024-82-1 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13754-19-3 ]
  • [ 16024-82-1 ]
  • 3-(4-amino-pyrimidin-5-yl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one [ No CAS ]
  • 2
  • [ 16024-82-1 ]
  • [ 526-08-9 ]
  • methyl 2-(3-(4-(N-(1-phenyl-1H-pyrazol-5-yl)sulfamoyl)phenyl)thioureido)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
88% In ethanol; at 20℃; for 5.0h; A mixtureof compound 2 (1.93 g, 0.01 mole) and 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (3.14 g, 0.01 mole) in absolute ethanol (30 mL) was stirred at room temperature for 5 h. The reaction mixture was poured onto ice water and the solid obtained was recrystallized from dioxane to give 3. Yield% 88; m.p. 322.9 C; IR (KBr, nmax, Cm-1): 3448, 3275(NH),3039 (CH arom.), 2977, 2863 (CH aliph.), 1662 (C=O), 1620(C=N), 1342, 1168 (SO2), 1261 (C=S). 1H NMR spectrum in(DMSO-d6): 4.21 [s, 3H, OCH3], 6.60, 7.64 [2d, 2H, 2CHpyrazole, J = 7.33 Hz], 7.08- 8.12 [m, 13H, Ar-H], 11.46 [s,1H, SO2NH, D2O-exchangeable], 12.95 [s, 2H, 2NH, D2O exchangeable].13C NMR spectrum (in DMSO-d6): 52.4, 95.6,121.3 (2), 121.8, 127.9 (2), 128.5 (2), 129.0 (2), 131.4, 132.6,134.3, 137.8, 139.6, 141.2, 141.8, 144.9, 168.1, 181.2. Anal.Calc. for C24H21N5O4S2 (508): C, 56.79; H, 4.17; N, 13.80;found: C, 56.42; H, 4.34; N, 13.49.
  • 3
  • [ 16024-82-1 ]
  • [ 526-08-9 ]
  • 4-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With triethylamine; In ethanol; for 18.0h;Reflux; A mixture of compound 2 (1.93 g, 0.01 mole) and 4-amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (3.14 g, 0.01 mole) in absolute ethanol (30 mL) containing a catalytic amount of triethylamine was refluxed for 18 h. The reaction mixture was cooled and poured onto ice water and the solid obtained was recrystallized from dioxane to give 4. Yield % 90; m.p. 300.4 C; IR (KBr, nmax, Cm-1): 3307, 3210(NH), 3088 (CH arom.), 1688 (C=O), 1610 (C=N), 1365, 1155(SO2), 1272 (C=S). 1H NMR spectrum (in DMSO-d6): 6.44,7.41 [2d, 2H, 2CH pyrazole, J = 6.97 Hz], 7.05-8.23 [m, 13H,Ar-H], 9.35 [s, 1H, NH, D2O-exchangeable], 11.44 [s, 1H,SO2NH, D2O-exchangeable]. 13C NMR spectrum (in DMSOd6):91.7, 119.8 (2), 120.6 (2), 122.7, 124.6, 125.1, 126.8 (2),127.6, 127.9, 128.5 (2), 130.6, 134.1, 134.7, 140.4, 141.3,141.9, 144.8, 162.7, 187.3. Anal. Calc. for C23H17N5O3S2 (476):C, 58.09; H, 3.60; N, 14.73; found: C, 58.32; H, 3.31; N, 14.51.
 

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