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Chemistry
Heterocyclic Building Blocks
Piperazines
2-Isopropylpiperazine
Chemistry
Heterocyclic Building Blocks
Piperazines
Aliphatic Heterocycles

[ CAS No. 84468-53-1 ] {[proInfo.proName]}

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Chemical Structure| 84468-53-1
Chemical Structure| 84468-53-1
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Product Details of [ 84468-53-1 ]

CAS No. :84468-53-1 MDL No. :MFCD07373042
Formula : C7H16N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 128.22 Pubchem ID :-
Synonyms :

Safety of [ 84468-53-1 ]

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Application In Synthesis of [ 84468-53-1 ]

* 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 [ 84468-53-1 ]

[ 84468-53-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 84468-53-1 ]
  • [ 287714-35-6 ]
  • [ 1035271-41-0 ]
YieldReaction ConditionsOperation in experiment
99% With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 - 25℃; for 18h; A solution of (2S)-2-propan-2-ylpiperazine (223 mg, 1.74 mmol) in dichloromethane (4.40 mL) was added to a stirred solution of <strong>[287714-35-6]methyl 2-chloropyrimidine-5-carboxylate</strong> (300 mg, 1.74 mmol) in dichloromethane (4.30 mL) at 25 C. N-Ethyl-N-propan-2-ylpropan-2-amine (0.752 mL, 4.35 mmol) was added. The resulting solution was stirred at room temperature for 18 h under a nitrogen atmosphere. The reaction mixture was concentrated and diluted with methanol. The crude product was purified by ion exchange chromatography, using a SCX column. The desired product was eluted from the column using 7M NH3/MeOH and fractions were evaporated to dryness to afford the desired compound (456.1 mg, 99%) as a yellow oil. This was used directly with no further purification. 1H NMR (399.9 MHz, DMSO-d6) delta 0.94-0.96 (6H, m), 1.58-1.66 (1H, m), 2.25-2.30 (1H, m), 2.56-2.63 (1H, m), 2.68-2.74 (1H, m), 2.95-3.02 (2H, m), 3.81 (3H, s), 4.56-4.60 (1H, m), 4.64-4.68 (1H, m), 8.78 (2H, s). MS: m/z 265 (MH+)
Reference： [1]Patent: US2008/153812,2008,A1 .Location in patent: Page/Page column 142
  • 2
  • [ 674792-05-3 ]
  • [ 84468-53-1 ]
YieldReaction ConditionsOperation in experiment
94% With hydrogenchloride; In 1,4-dioxane; methanol; ethyl acetate; at 20℃; for 40h; A solution of <strong>[674792-05-3]tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate</strong> (2 g, 8.76 mmol) in a mixture of ethyl acetate (20 mL) and methanol (20.00 mL) was stirred at room temperature with 4M HCl in dioxane (30 mL) for 40 h under nitrogen. The reaction mixture was evaporated to dryness. The crude product was purified by ion exchange chromatography, using a SCX column. The desired product was eluted from the column using 3.5M NH3/MeOH and pure fractions were evaporated to dryness to afford (2S)-2-propan-2-ylpiperazine (1.052 g, 94%) as a white solid. 1H NMR (399.9 MHz, DMSO-d6) delta 0.83-0.87 (6H, m), 1.39-1.47 (1H, m), 2.15-2.22 (2H, m), 2.41-2.47 (1H, m), 2.53-2.59 (1H, m), 2.67 (1H, d), 2.75-2.80 (2H, m)-2 protons not seen.
Reference： [1]Patent: US2008/153812,2008,A1 .Location in patent: Page/Page column 142
  • 3
  • [ 84468-53-1 ]
  • [ 1849-02-1 ]
  • [ 1529801-84-0 ]
YieldReaction ConditionsOperation in experiment
26% With caesium carbonate; In acetonitrile; at 150℃; for 3h;Microwave irradiation; 2-Chloro-1-methyl-1H-benzimidazole (250 mg, 1.5 mmol) was dissolved in acetonitrile (10mL). 2-Isopropylpiperazine (230 mg, 1.8 mmol) and cesium carbonate (980 mg, 3 mmol) wereadded, and the reaction mixture was stirred in a microwave oven (CEM, Discover-SP with30 ActiVent, 300 W maximum) at 150 oc for 3 hours. Then the reaction mixture was diluted withwater (50 mL), and the product was extracted with chloroform (2x20 mL). The crude material waspurified with silica gel column chromatography eluting with mixture of chloroform:methanol (20: 1)to afford 100 mg, 26% ofthe titled compound as a light yellow solid. MS (ESI) m/z 259.6 (M+1t.
Reference： [1]Patent: WO2014/5129,2014,A1 .Location in patent: Page/Page column 120
  • 4
  • [ 29460-90-0 ]
  • [ 84468-53-1 ]
YieldReaction ConditionsOperation in experiment
86.5% With palladium 10% on activated carbon; 2-(3-isopropylpiperazin-1-yl)quinazoline In ethanol for 48h; Preparation of 2-isopropyl piperazine 2-Isopropylpyrazine (50 g, 409.3 mmol) was dissolved in ethanol (200 mL), palladium on15 carbon (1 0% by weight, 4 g) was added, and the reaction mixture was hydrogenated at 50 psi over 48hours. The reaction mixture was filtered through a pad of diatomaceous earth and concentrated underreduced pressure to yield the titled compound (45.4 g, 86.5%) as an off-white solid: 1H NMR(DMSO-d6) o ppm 2.74 (m, 2H), 2.64 (m, 1H), 2.57 (m, 1H), 2.41 (m, 1H), 2.15 (m, 2H), 1.41 (m,1H), 0.84 (dd, 6H).
Reference： [1]Current Patent Assignee: ABBVIE INC - WO2014/5129, 2014, A1 Location in patent: Page/Page column 98
  • 5
  • [ 84468-53-1 ]
  • [ 6141-13-5 ]
  • [ 1001184-19-5 ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate; In acetonitrile; at 25 - 82℃; for 12h; The haloheteroary 1 ( 1. 0 equivalent) and piperazine ( 1-1.5 equivalents, preferably 1.1equivalents) are dissolved in a solvent, such as acetonitrile. A base, such as cesium carbonate (1.5-3.05 equivalents, preferably 2. 0 equivalents), and a catalyst, such as [ 1,1 'bis(diphenylphosphino)ferrocene]dichloropalladium(II) (0-5 mol%, preferably 0 or 2.0 mol%), areadded, and the mixture is heated from 25-82 oc (preferably 80-82 C) overnight. The volatiles areremoved under reduced pressure, and the residue is partitioned between ethy 1 acetate and water. The organic phase is concentrated and the residue is purified chromatographically.
Reference： [1]Patent: WO2014/5129,2014,A1 .Location in patent: Page/Page column 118; 119

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