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Chemical Structure| 56344-32-2 Chemical Structure| 56344-32-2

Structure of 56344-32-2

Chemical Structure| 56344-32-2

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Product Details of [ 56344-32-2 ]

CAS No. :56344-32-2
Formula : C5H14N2O
M.W : 118.18
SMILES Code : NCCNCCCO
MDL No. :MFCD00059848
InChI Key :KTLIZDDPOZZHCD-UHFFFAOYSA-N
Pubchem ID :10973740

Safety of [ 56344-32-2 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314
Precautionary Statements:P280-P305+P351+P338-P310
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 56344-32-2 ]

* 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.

  • Downstream synthetic route of [ 56344-32-2 ]

[ 56344-32-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 56344-32-2 ]
  • [ 5147-80-8 ]
  • [ 471929-88-1 ]
YieldReaction ConditionsOperation in experiment
82.4% In tetrahydrofuran; at 20℃; for 2h; (Step 1) <strong>[5147-80-8][Bis(methylthio)methylene]malononitrile</strong> (10.2 g, 59.9 mmol) was dissolved in THF (68 mL) and under ice-cooling, a solution of N-(3-hydroxypropyl)ethylenediamine (7.24 g, 61.3 mmol) in THF (10 mL) was added thereto. After stirring at room temperature for 2 hours, the mixture was added with ethyl acetate/diisopropylether (1:1) (70 mL) and under ice-cooling, the mixture was stirred for 1 hour. The precipitated white solid was collected by filtration to obtain [1-(3-hydroxypropyl) imidazolidin-2-ylidene]malononitrile (9.48 g, 82.4%). 1H NMR (DMSO-d6, δppm): 1.65-1.79 (m, 2H), 3.38-3.55 (m,6H), 3.63-3.75 (m, 2H), 4.54 (t, J = 4.6 Hz, 1H), 7. 87 (br s, 1H).
15.0 g (87%) In dichloromethane; di-isopropyl ether; Step 1 1-(3-Hydroxypropyl)-2-imidazolidinylidenepropanedinitrile (Compound (VIa)): In 10 ml of methylene chloride was dissolved 10.4 g of N-(2-aminoethyl)propanolamine, and the solution was added to 15.0 g of [bis(methylthio)methylene]propanedinitrile. The mixture was allowed to stand at room temperature for 1 hour under reduced pressure. Diisopropyl ether was added to the mixture, and the solid was collected by filtration. The crystals were purified by silica gel column chromatography (chloroform:methanol=5:1) to give 15.0 g (87%) of Compound (VIa) as pale yellow crystals.
 

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