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[ CAS No. 20532-30-3 ]

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2D
Chemical Structure| 20532-30-3
Chemical Structure| 20532-30-3
Structure of 20532-30-3 *Storage: {[proInfo.prStorage]}

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Product Details of [ 20532-30-3 ]

CAS No. :20532-30-3MDL No. :MFCD01860057
Formula : C9H8OS Boiling Point : 268.874°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :164.22Pubchem ID :3632425
Synonyms :

Computed Properties of [ 20532-30-3 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 20532-30-3 ]

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

Application In Synthesis of [ 20532-30-3 ]

  • Upstream synthesis route of [ 20532-30-3 ]
  • Downstream synthetic route of [ 20532-30-3 ]

[ 20532-30-3 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 20532-30-3 ]
  • [ 19301-35-0 ]
YieldReaction ConditionsOperation in experiment
73% With boron tribromide In dichloromethane at -10 - 20℃; for 1.5 h; Inert atmosphere To a solution of Example 20a (1.5 g, 9.14 mmol, 1.0 eq) in DCM (20 mL) was added dropwise BBr3 (36.6 ml, 36.6 mmol, 4.0 eq, 1M in DCM) at -10°C under N2. The mixture was stirred at this temperature for 30 min, and then warmed to r.t. for 1 h. The reaction was quenched with MeOH at - 5°C. The mixture was extracted with DCM (50 mL) and water. The organic layer was washed with aq.NaHC03, dried over Na2S04 and concentrated. The residue was purified by flash column chromatography (PE:EA=4: 1) to give the desired product(Example 20b, 1 g, yield 73percent, as a yellow solid). MS [M+1]+=151.0
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 8, p. 2948 - 2950
[2] Patent: WO2017/218960, 2017, A1, . Location in patent: Paragraph 00463; 00466
[3] Journal of Heterocyclic Chemistry, 2001, vol. 38, # 5, p. 1025 - 1030
[4] Journal of the American Chemical Society, 2013, vol. 135, # 20, p. 7450 - 7453
[5] Patent: US2010/279983, 2010, A1, . Location in patent: Page/Page column 24
[6] Patent: WO2012/138776, 2012, A1, . Location in patent: Page/Page column 166
[7] Patent: WO2007/139729, 2007, A1, . Location in patent: Page/Page column 32
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