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[ CAS No. 6214-46-6 ]

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2D
Chemical Structure| 6214-46-6
Chemical Structure| 6214-46-6
Structure of 6214-46-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 6214-46-6 ]

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SDS

Product Details of [ 6214-46-6 ]

CAS No. :6214-46-6MDL No. :MFCD11656636
Formula :C8H10N2O3Boiling Point :314.5°C at 760 mmHg
Linear Structure Formula :-InChI Key :LBOPQWUXCIRYIU-UHFFFAOYSA-N
M.W :182.18Pubchem ID :46856292
Synonyms :

Computed Properties of [ 6214-46-6 ]

TPSA : 67.8 H-Bond Acceptor Count : 4
XLogP3 : -0.5 H-Bond Donor Count : 1
SP3 : 0.38 Rotatable Bond Count : 4

Safety of [ 6214-46-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6214-46-6 ]

  • Upstream synthesis route of [ 6214-46-6 ]
  • Downstream synthetic route of [ 6214-46-6 ]

[ 6214-46-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 3473-63-0 ]
  • [ 5472-38-8 ]
  • [ 6214-46-6 ]
YieldReaction ConditionsOperation in experiment
55%
Stage #1: With sodium ethanolate In ethanol at 0℃; for 0.08 h; Inert atmosphere
Stage #2: at 0 - 20℃; for 48.00 h; Inert atmosphere
Stage #3: With hydrogenchloride In ethanol; water at 20℃; for 0.50 h; Inert atmosphere
General procedure: A solution of sodium ethoxide in ethanol was cooled to0 C under argon atmosphere. Diethyl 2-formylsuccinatewas added under stirring. After 5 min, the correspondingamidine was added at 0 C and stirring was continued at rtfor 3 days. Aqueous hydrogen chloride solution (5 percent) wasadded and it was stirred for 30 min. After addition of waterthe ethanol was removed in vacuo at 30 C. The precipitatewas filtered off to give compound 1 (X = H, Me, Ph, SMe;Y = H, R1 = Et)
Reference: [1] Monatshefte fur Chemie, 2016, vol. 147, # 4, p. 767 - 773
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