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[ CAS No. 97229-11-3 ]

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2D
Chemical Structure| 97229-11-3
Chemical Structure| 97229-11-3
Structure of 97229-11-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 97229-11-3 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 97229-11-3 ]

SDS

Product Details of [ 97229-11-3 ]

CAS No. :97229-11-3MDL No. :MFCD09701372
Formula :C5H5ClN2O2SBoiling Point :371.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :192.62Pubchem ID :11148232
Synonyms :

Computed Properties of [ 97229-11-3 ]

TPSA : 68.3 H-Bond Acceptor Count : 4
XLogP3 : 0.7 H-Bond Donor Count : 0
SP3 : 0.20 Rotatable Bond Count : 1

Safety of [ 97229-11-3 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305 P351 P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 97229-11-3 ]

  • Upstream synthesis route of [ 97229-11-3 ]

[ 97229-11-3 ] Synthesis Path-Upstream   1~3

  • 1
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YieldReaction ConditionsOperation in experiment
85.7% With ammonium heptamolybdate tetrahydrate; dihydrogen peroxide In ethanol at 0 - 20℃; Inert atmosphere 4-Chloro-2-methylpyrimidine (Compound 1) (7.25 mL, 62.3 mmol) and 95percent ethanol (100 mL) were added to a 250 mL single-necked flask with magnetic stirring, and the mixture was stirred and cooled to 0 ° C. Hydrogen peroxide (30percent, 14.4 mL, 187 mmol) of ammonium tetramohydrate tetrahydrate (2.18 g, 1.87 mmol) was slowly added dropwise, and the mixture was warmed to room temperature after stirring, and the reaction was stirred overnight under nitrogen.The organic solvent was evaporated under reduced pressure, and water (200 mL) was evaporated.Dry over anhydrous sodium sulfate, filter, concentrate,Silica gel column chromatography gave 10.2 g of a white solid.The yield was 85.7percent.
Reference: [1] Organic Letters, 2011, vol. 13, # 19, p. 5000 - 5003
[2] Journal of Organic Chemistry, 2003, vol. 68, # 13, p. 5388 - 5391
[3] Patent: CN108947974, 2018, A. Location in patent: Paragraph 0122; 0125; 0127-0129
[4] Heterocycles, 1985, vol. 23, # 3, p. 611 - 616
[5] Journal of Medicinal Chemistry, 2007, vol. 50, # 6, p. 1146 - 1157
[6] Patent: WO2007/23105, 2007, A1. Location in patent: Page/Page column 58
[7] Patent: US2005/203091, 2005, A1. Location in patent: Page/Page column 58
[8] Patent: WO2018/92034, 2018, A1. Location in patent: Paragraph 0076
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  • [ 49844-90-8 ]
  • [ 64741-01-1 ]
  • [ 97229-11-3 ]
Reference: [1] Patent: US6297260, 2001, B1
  • 3
  • [ 5751-20-2 ]
  • [ 97229-11-3 ]
Reference: [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 6, p. 1146 - 1157
[2] Patent: WO2018/92034, 2018, A1
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