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[ CAS No. 98026-88-1 ] {[proInfo.proName]}

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Chemical Structure| 98026-88-1
Chemical Structure| 98026-88-1
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Product Details of [ 98026-88-1 ]

CAS No. :98026-88-1 MDL No. :MFCD06657208
Formula : C4H2Cl2N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :DMAOAJYJIATWJS-UHFFFAOYSA-N
M.W : 213.04 Pubchem ID :43244366
Synonyms :

Safety of [ 98026-88-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H302-H312-H314-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 98026-88-1 ]

* 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.

  • Upstream synthesis route of [ 98026-88-1 ]
  • Downstream synthetic route of [ 98026-88-1 ]

[ 98026-88-1 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 40828-51-1 ]
  • [ 98026-88-1 ]
YieldReaction ConditionsOperation in experiment
96% at 180℃; for 4 h; Reference Example 26 2-chloro-5-pyrimidinesulfonyl chloride; A mixture of 2-hydroxy-5-pyrimidinesulfonic acid (12.8 g) and phosphorus pentachloride (37.8 g) was stirred at 180° C. for 4 hr. After cooling to room temperature, toluene (200 mL) was added, and the insoluble material was filtered off. The filtrate was washed with ice water, dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure. The residue was stood in a freezer for one day to give the title compound as a pale-yellow solid (yield 14.8 g, 96percent). 1H-NMR (CDCl3) δ: 9.19 (2H, s).
96% With phosphorus pentachloride In toluene at 180℃; for 4 h; Reference Example 129
2-Chloro-5-pyrimidinesulfonyl chloride
A mixture of 2-hydroxy-5-pyrimidinesulfonic acid (12.8 g) and phosphorus pentachloride (37.8 g) was stirred under reflux at 180°C for 4 hr.
After cooling to room temperature, toluene (200 mL) was added, and the insoluble material was filtered off.
The filtrate was washed with ice water, dried over anhydrous magnesium sulfate, and the solvent was evaporated under reduced pressure.
The residue was stood in a freezer for one day to give the title compound as a pale-yellow solid (yield 14.8 g, 96percent).
1H-NMR (CDCl3)δ: 9.19 (2H, s).
70% at 180℃; for 4 h; Heating / reflux A mixture of phosphorus PENTACHLORIDE (0. 52 g, 2. 5 MMOL) and 2-hydroxy-5- pyrimidinesulfonic acid was heated in an oil-bath at 180 C to give a tan-colored liquid, which was REFLUXED for four hours and then cooled to room temperature. The reaction mixture was then dissolved in ethyl acetate (25 ML). The acetate solution was washed with saturated solution of NAHC03, brine, and dried over MGSO4. The solvent was removed and the product was purified via silica gel chromatography (EtOAc : Hexane =1 : 2) to provide 0. 15 g of a pale white solid in 70percent yield
Reference: [1] Patent: US2007/60623, 2007, A1, . Location in patent: Page/Page column 23
[2] Patent: WO2006/36024, 2006, A1, . Location in patent: Page/Page column 159
[3] Patent: EP2336107, 2015, B1, . Location in patent: Paragraph 0303
[4] Patent: WO2004/74283, 2004, A1, . Location in patent: Page 87
[5] Patent: EP1803709, 2007, A1,
  • 2
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Reference: [1] Journal of the American Chemical Society, 1959, vol. 81, p. 5166
  • 3
  • [ 39687-77-9 ]
  • [ 98026-88-1 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 13, p. 3947 - 3953
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