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[ CAS No. 345310-98-7 ] {[proInfo.proName]}

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Chemical Structure| 345310-98-7
Chemical Structure| 345310-98-7
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Product Details of [ 345310-98-7 ]

CAS No. :345310-98-7 MDL No. :MFCD07373443
Formula : C9H11N3O Boiling Point : -
Linear Structure Formula :- InChI Key :YAXQKAGUVNHYNL-UHFFFAOYSA-N
M.W : 177.20 Pubchem ID :21865017
Synonyms :

Safety of [ 345310-98-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 345310-98-7 ]

* 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.

  • Upstream synthesis route of [ 345310-98-7 ]
  • Downstream synthetic route of [ 345310-98-7 ]

[ 345310-98-7 ] Synthesis Path-Upstream   1~4

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YieldReaction ConditionsOperation in experiment
46% With ammonium formate In methanol for 4 h; Heating / reflux A slurry of palladium on carbon (5percent, 3.6 g) in water was added to a solution of 4-phenylmethyl-1-(2-pyridinyl)piperazin-2-one (Description 150, 3.6 g, 13.48 mmol) and ammonium formate (4.25 g, 67.5 mmol) in methanol (100 mL) and the mixture was heated under reflux for 4 hours, cooled and filtered through Hyflo.(TM)., washing with methanol. The solvent was evaporated under reduced pressure and the residue was purified by flash column chromatography on silica gel eluting with CH2Cl2/MeOH (90:10), to give the title compound as an orange oil (1.1 g, 46percent). m/z (ES+) 178 (M+1).
Reference: [1] Patent: US2003/236250, 2003, A1, . Location in patent: Page 39
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  • [ 345310-96-5 ]
  • [ 998-40-3 ]
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YieldReaction ConditionsOperation in experiment
65% With hydrogenchloride In tetrahydrofuran; MeOH-NH3; diethyl ether Step 2
1-(Pyridin-2-yl)piperazin-2-one
A stirred suspension of 2-(2-hydroxyethylamino)-N-pyridin-2-yl-acetamide (0.17 g, 0.87 mmol) under an inert atmosphere in THF (3 mL) was cooled to 0-5° C. Tributyl phosphine (0.32 mL, 1.15 mmol) was added followed by a solution of di-tert-butylazodicarboxylate (0.29 g, 1.23 mmol) in THF (3 mL) dropwise over 15 min.
After a further 15 min. the mixture was warmed to 40° C. and a hydrogen chloride solution in diethylether (1M, 1.8 mL) added to produce a precipitate.
The mixture was cooled to 0-5° C. and the solids filtered off to give a hydroscopic product.
This was dissolved in MeOH-NH3 and chromatographed on silica gel, eluding with DCM:MeOH (100:0 to 90:10), to afford the title compound (100 mg, 65percent) as a colourless solid. 1H NMR (360 MHz, d6-DMSO) δ 2.85 (1H, br s), 3.01 (2H, t, J=5.5 Hz), 3.44 (2H, s), 3.82 (2H, t, J=5.5 Hz), 7.17-7.22 (1H, m), 7.75-7.86 (2H, m), 8.41-8.45 (1H, m). MS (ES+) 178 (M+1).
Reference: [1] Patent: US2003/125333, 2003, A1,
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 12, p. 3809 - 3812
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  • [ 1279815-59-6 ]
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 12, p. 3809 - 3812
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