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Chemical Structure| 110-72-5 Chemical Structure| 110-72-5

Structure of 110-72-5

Chemical Structure| 110-72-5

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Product Details of [ 110-72-5 ]

CAS No. :110-72-5
Formula : C4H12N2
M.W : 88.15
SMILES Code : NCCNCC
MDL No. :MFCD00008166
InChI Key :SCZVXVGZMZRGRU-UHFFFAOYSA-N
Pubchem ID :66071

Safety of [ 110-72-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H314-H334
Precautionary Statements:P210-P261-P280-P305+P351+P338-P310
Class:8(3)
UN#:2734
Packing Group:

Application In Synthesis of [ 110-72-5 ]

* 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 [ 110-72-5 ]

[ 110-72-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 110-72-5 ]
  • [ 24424-99-5 ]
  • [ 113283-93-5 ]
YieldReaction ConditionsOperation in experiment
Reference Example 15 N-(2-aminoethyl)-N-ethyl-2,2,2-trifluoroacetamide hydrochloride According to the method described in Synthetic Communications, 23(17), 2443-2449 (1993), tert-butyl N-[2-(ethylamino)ethyl]carbamate (3.06 g, 16.25 mmol) was obtained from N-ethylethylenediamine (8.36 g) and di-tert-butyl dicarbonate (6.25 g).
3.2 g In tetrahydrofuran; at 0 - 20℃; In a round bottom flask, N-ethylethylenediamine (8.82 g) was dissolved in 200 ml of anhydrous THF, the solution was cooled to 0-5 C. and di-tert-butyl dicarbonate (6.54 g) dissolved in 60 ml of THF was added during one hour. The mixture was stirred overnight at room temperature. Next, the solvent was distilled off, the residue was dissolved in saturated NaCl solution (60 ml) and the product was extracted with dichloromethane (3*60 ml). The extract was washed with a saturated NaCl solution (60 ml) and dried with anhydrous MgSO4. Next, the solvent was distilled off under reduced pressure and the obtained product was recrystallized from hexane giving 3.2 g of the desired product.
  • 2
  • [ 110-72-5 ]
  • [ 13139-12-3 ]
  • [ 113283-93-5 ]
  • 3
  • [ 110-72-5 ]
  • CaH [ No CAS ]
  • [ 24424-99-5 ]
  • [ 113283-93-5 ]
YieldReaction ConditionsOperation in experiment
With sodium chloride; In tetrahydrofuran; Step 1. Synthesis of (2-ethylaminoethylearbamic acid, 1,1-dimethylethyl ester) (3) Refer to . A 25 g (0.28 mol) quantity of N-ethylethylenediamine (1) was placed in a dried 500 ml rb flask. THF, 250 ml, previously dried by distillation from CaH, was added via cannula. The flask was kept under argon and cooled in an ice bath for 20 minutes. A dried addition funnel was charged with 50 ml THF to which was added 29.3 ml (0.13 mol) of di-tert-butyl dicarbonate (2). This mixture was added slowly dropwise to the stirred amine. After addition was complete, the reaction was removed from the ice bath and allowed to stir and reach ambient temperature overnight. The volatiles were removed by rotary evaporation. Saturated NaCl (50 ml) was added, and the result extracted with 4*100 ml ethyl acetate. The combined organic fractions were dried over Na2SO4 overnight. The drying agent was removed by filtration and the volatiles removed by rotary evaporation to yield 2-ethylaminoethylcarbamic acid, 1,1 -dimethylethyl ester (3; 27.55 g, 0.15 mol). The material was used without further purification.
 

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