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[ CAS No. 944559-46-0 ]

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2D
Chemical Structure| 944559-46-0
Chemical Structure| 944559-46-0
Structure of 944559-46-0 *Storage: {[proInfo.prStorage]}

Quality Control of [ 944559-46-0 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 944559-46-0 ]

SDS

Product Details of [ 944559-46-0 ]

CAS No. :944559-46-0MDL No. :MFCD27635175
Formula :C12H15NO3SBoiling Point :373.0±34.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :253.32Pubchem ID :70332843
Synonyms :

Computed Properties of [ 944559-46-0 ]

TPSA : 84.5 H-Bond Acceptor Count : 5
XLogP3 : 3.1 H-Bond Donor Count : 0
SP3 : 0.42 Rotatable Bond Count : 6

Safety of [ 944559-46-0 ]

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 [ 944559-46-0 ]

  • Upstream synthesis route of [ 944559-46-0 ]
  • Downstream synthetic route of [ 944559-46-0 ]

[ 944559-46-0 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 78-84-2 ]
  • [ 160060-21-9 ]
  • [ 944559-46-0 ]
Reference: [1] Chemistry - A European Journal, 2017, vol. 23, # 24, p. 5842 - 5850
[2] Synlett, 2009, # 8, p. 1341 - 1345
  • 2
  • [ 78-84-2 ]
  • [ 944559-46-0 ]
YieldReaction ConditionsOperation in experiment
2.5 g at 60 - 70℃; for 45.00 h; 5.0 g of compound VI (R = Et, 0.01 mol) was dissolved in 25 ml of chloroform, Join 3.92g isobutyraldehyde, stirring temperature 60 ~ 70 ° C reaction 45h. After vacuum desolventizing with n-heptane 2.5g white solid was purified with a purity of 99.0percent.
Reference: [1] Patent: CN107382903, 2017, A. Location in patent: Paragraph 0020-0022
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