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Chemical Structure| 145096-57-7 Chemical Structure| 145096-57-7
Chemical Structure| 145096-57-7

6-Fluorobenzo[d]oxazole-2(3H)-thione

CAS No.: 145096-57-7

4.5 *For Research Use Only !

Cat. No.: A405952 Purity: 95%

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Product Details of [ 145096-57-7 ]

CAS No. :145096-57-7
Formula : C7H4FNOS
M.W : 169.18
SMILES Code : S=C1OC2=CC(F)=CC=C2N1
MDL No. :MFCD18861560
InChI Key :RPTXVOBIDXKEFW-UHFFFAOYSA-N
Pubchem ID :18933192

Safety of [ 145096-57-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Application In Synthesis of [ 145096-57-7 ]

* 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 [ 145096-57-7 ]

[ 145096-57-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 145096-57-7 ]
  • [ 153403-53-3 ]
YieldReaction ConditionsOperation in experiment
38% at 80℃; for 6 h; Into a 500-mL round-bottom flask, was placed 6-fluoro-2,3-dihydro-l,3-benzoxazole-2- thione (9.2 g, 54.38 mmol, 1.00 equiv), thionyl chloride (200 mL) and DMF(0.5 mL). The resulting solution was stirred for 6 h at 80°C in an oil bath. After reaction, the excess of SOCh was removed under vacuum. The residue was applied onto a silica gel column with ethyl acetate/petroleum ether (0/100-7/93). The fractions were collected and concentrated under vacuum. This resulted in 3.5 g (38percent) of the title compound as brown oil. LC-MS (ES, m/z) 172 [M+H]+
References: [1] Patent: WO2014/164749, 2014, A1, . Location in patent: Page/Page column 257.
  • 2
  • [ 145096-57-7 ]
  • [ 153403-53-3 ]
References: [1] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 7, p. 1975 - 1980.
[2] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 16, p. 4689 - 4693.
[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 9, p. 3044 - 3049.
 

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