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[ CAS No. 1174044-78-0 ] {[proInfo.proName]}

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Chemical Structure| 1174044-78-0
Chemical Structure| 1174044-78-0
Structure of 1174044-78-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1174044-78-0 ]

CAS No. :1174044-78-0 MDL No. :MFCD20482809
Formula : C10H22ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :VZGZZKFRYJESPW-UHFFFAOYSA-N
M.W :207.74 Pubchem ID :102594236
Synonyms :

Safety of [ 1174044-78-0 ]

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

Application In Synthesis of [ 1174044-78-0 ]

* 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 [ 1174044-78-0 ]

[ 1174044-78-0 ] Synthesis Path-Downstream   1~4

YieldReaction ConditionsOperation in experiment
This material (1.8 g) is taken up in methanol (100 ml) containing concentrated hydrochloric acid (0.6 ml), treated with 10% palladium on carbon and hydrogenated at 45 psi for 8 hours. The catalyst is filtered off and the solvent removed at reduced pressure to afford 4-tert-butoxypiperidine hydrochloride.
  • 2
  • [ 420846-72-6 ]
  • [ 1174044-78-0 ]
  • [ 1174043-86-7 ]
YieldReaction ConditionsOperation in experiment
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl acetamide; at 20℃; for 2.0h; (a) 4-[3-[4-[(2-methylpropan-2-yl)oxy]piperidine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (71) To 20 ml vial was added 3-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoic acid (1b) (50 mg, 0.178 mmol). To this was added N,N-dimethylacetamide (2 mL) and triethylamine (70 muL, 0.445 mmol). This mixture was allowed to stir for 5 mins before addition of O-benzotriazol-1-yl-N,N,N',N'-tetra-methyluronium hexafluorophosphate, this solution was also allowed to stir for a further 5 minutes. A solution of <strong>[1174044-78-0]4-[(2-methylpropan-2-yl)oxy]piperidine hydrochloride</strong> (35 mg, 0.178 mmol) in N,N-dimethylacetamide (1 mL) and triethylamine (25 mul, 0.179 mmol) was then added and the reaction left to stir at ambient temperature for 2 hours before being purified by preparative HPLC to afford the desired compound; m/z (LC-MS, ESI+), RT=1.74 (M+H 420.4).
  • 3
  • [ 1174044-78-0 ]
  • [ 877842-18-7 ]
  • [ 1174043-91-4 ]
YieldReaction ConditionsOperation in experiment
55.7% With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In N,N-dimethyl-formamide; at 25℃; for 4.0h; (a) 4-((2-(4-tert-butoxypiperidine-1-carbonyl)pyridin-4-yl)methyl)phthalazin-1(2H)-one (73) A solution of <strong>[1174044-78-0]4-tert-butoxypiperidine hydrochloride</strong> (227 mg, 1.17 mmol) and triethylamine (0.327 mL, 2.35 mmol) in N,N-dimethlformamide (3 mL) was added in one portion to a stirred solution of 4-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)picolinic acid (5) (300 mg, 1.07 mmol), Triethylamine (0.327 mL, 2.35 mmol) and O-Benzotriazol-1-yl-N,N,N',N'-tetra-methyluronium hexafluorophosphate (607 mg, 1.60 mmol) in N,N-dimethlformamide (3 mL) at 25 C. The resulting solution was stirred at 25 C. for 4 hours, then The crude mixture was purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5mu silica, 30 mm diameter, 100 mm length), using decreasingly polar mixtures of water (containing 1% NH3) and MeCN as eluents. Fractions containing the desired compound were evaporated to dryness and lyophilised to afford the desired compound as a solid (250 mg, 55.7% yield); 1H NMR (400.132 MHz, DMSO) delta 1.15 (9H, s), 1.25-1.40 (2H, m), 1.56-1.63 (1H, m), 1.71-1.79 (1H, m), 3.08-3.23 (2H, m), 3.44-3.50 (1H, m), 3.71-3.78 (1H, m), 4.01-4.08 (1H, m), 4.40 (2H, s), 7.39 (1H, dd), 7.48-7.49 (1H, m), 7.83-7.87 (1H, m), 7.90 (1H, td), 7.94-7.97 (1H, m), 8.28 (1H, dd), 8.46-8.48 (1H, m), 12.60 (1H, s); m/z (LC-MS, ESI+), RT=1.67 (M+H 421.5).
  • 4
  • [ 1174044-78-0 ]
  • [ 7627-44-3 ]
  • 5-((4-(tert-butoxy)piperidin-1-yl)methyl)-2,4-dichloropyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With potassium carbonate; In acetonitrile; at 0 - 20℃; To a stirred suspension of K2CO3 (478.0 mg, 3.5 mmol) and INT-53 (500.0 mg, 1.7 mmol) in CH3CN (15.0 mL) was added <strong>[1174044-78-0]4-tert-butoxypiperidine hydrochloride</strong> (200.0 mg, 1.0 mmol) at 0° C. The resulting reaction mixture was stirred at room temperature overnight. After completion, the reaction mixture was filtered through a pad of Celite® and the filtrate was concentrated under reduced pressure. The crude material obtained was purified by column chromatography to afford INT-103 (168 mg, 53percent) as a colorless liquid. 1H NMR (400 MHz, CDCl3) delta 8.67 (s, 1H), 3.58 (s, 2H), 3.53-3.47 (m, 1H), 2.80-2.76 (m, 2H), 2.35-2.20 (m, 2H), 1.83-1.69 (m, 2H), 1.66-1.54 (m, 2H), 1.20 (s, 9H). MS m/z (M+H): 318.0.
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