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[ CAS No. 177793-79-2 ]

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Chemical Structure| 177793-79-2
Chemical Structure| 177793-79-2
Structure of 177793-79-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 177793-79-2 ]

CAS No. :177793-79-2 MDL No. :MFCD28144997
Formula : C18H24N2O Boiling Point : 495.3±34.0°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :284.40 g/mol Pubchem ID :15338431
Synonyms :

Safety of [ 177793-79-2 ]

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

Application In Synthesis of [ 177793-79-2 ]

  • Downstream synthetic route of [ 177793-79-2 ]

[ 177793-79-2 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 177793-79-2 ]
  • [ 135729-62-3 ]
YieldReaction ConditionsOperation in experiment
78% Stage #1: N-(1-azabicyclo[2.2.2]oct-3S-yl)-1,2,3,4-tetrahydronaphthalene-1S-carboxamide With triphosgene In toluene for 2h; Reflux; Stage #2: With boron trifluoride-tetrahydrofuran complex In toluene for 3h; Reflux; Stage #3: With hydrogenchloride In isopropyl alcohol; toluene for 1h; Reflux; 3 Preparation Example 4 palonosetron hydrochloride implementation The 135.5g (0.5mol) (S)-N - (( (S) - 1, 2, 3, 4-tetrahydronaphthalen-1-yl) methyl) - 3-amino quinine soluble in 1.35L in toluene, is slowly the instillment contains 89g (0.3mol) toluene solution of triphosgene. the drop finishes, heating to reflux reaction 2h, makes up the instillment to contain reflux 44.5g (0.15mol) toluene solution of triphosgene, to continue to reflux reaction 1h. After the reaction, dropping 282.5g (2.0mol) boron trifluoride tetrahydrofuran solution, the drop finishes, reflux reaction 4h. After the reaction, by adding 1mol/L dilute hydrochloric acid 0.75L, reflux reaction 1h. Cooling down to room temperature, the liquid separating, for toluene layer 500 ml dilute hydrochloric acid extraction, merged layer, by 40% sodium hydroxide solution to adjust the pH to 11-12, extraction with ethyl acetate, combined ethyl acetate layer, by washing with saturated sodium chloride aqueous solution, concentrated under reduced pressure to dry, shall be 127.4g strawcoloured palonosetron free alkali oil objects. Palonosetron free alkali oily adding 1.3L anhydrous ethanol mixing dissolution, dripping hydrogen chloride ethanol solution to adjust the pH to 2-4, cooling to 10 °C, thermal crystallization 3h, filtering, the filter cake drying in vacuum, obtaining hydrochloric acid palonosetron 136.4g, the overall yield is about 82.0%. Display HPLC for purity 99.45%, the maximum shan Za 0.35%. Hydrochloric acid palonosetron refining: palonosetron 136g the hydrochloric acid, using 95% ethanol 1.36L heating to reflux to dissolve, cooling to 0 °C crystallization, filtration, dried under vacuum to get the refined product 106.1g, yield: 78.0%, HPLC display purity of 99.97%, the maximum impurity 0.03%.
Multi-step reaction with 4 steps 1.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 1.2: 1 h / 70 °C / Cooling with ice 1.3: 35 °C 2.1: toluene / 12.08 h / 12 - 105 °C 3.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale 3.2: 0.5 h / 105 °C / Industrial scale 3.3: Industrial scale 4.1: hydrogenchloride / water / 0.08 h / Industrial scale
  • 2
  • [ 1207878-52-1 ]
  • [ 120570-05-0 ]
  • [ 177793-79-2 ]
YieldReaction ConditionsOperation in experiment
90% In toluene at 70℃; for 1.5h; Industrial scale; 2.2 To a 50 L glass kettle, 1.6 kg (9 mol) of the starting material 2 of (S) - (-) - 1,2,3,4-tetrahydro-1-naphthoic acid was successively added,16L toluene and 1.3 kg (10.8 mol) of SOCl2 were stirred at 35 ° C for 1 h.After stirring, the temperature was raised to 70 ° C and stirred for 1.5 h.And then rose to 110 ° C reflux at atmospheric pressure about 3L, steaming the solvent after the ice bath cooled to about 0 ,The toluene solution of compound 4 obtained in step 1) was slowly added dropwise over 30 min, and the temperature was raised to 70 ° C for 1 h.After the reaction to room temperature, adding 12L water, temperature control 40 ,And 50 kg of sodium hydroxide 0.9 kg (10.8 mol) was added under ice bath.Precipitation of a large number of solid, stirring at room temperature 20min, filter, filter cake washed by 3L water 2 times,Placed in a blast oven for 5h (70 ) to get 2.1kg white powder solid A; the filtrate was left to separate the organic layer,The aqueous layer was extracted with methylene chloride (5 L * 2), the organic layers were combined,The organic layer was washed with 3 L of saturated brine, washed with anhydrous sodium sulfate,The solution B was clarified by filtration. The dried solid A was added to solution B,Heated to 80 reflux 1h, down to the ice bath stirring crystallization 1h, filter, filter cake washed 2L toluene 2 times,Placed in a blast oven 70 dry to constant weight, get 2.3kg white powder as a solid 5, the yield: 90%.
  • 3
  • [ 177793-79-2 ]
  • [ 1808991-05-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 1.2: 1 h / 70 °C / Cooling with ice 1.3: 35 °C 2.1: toluene / 12.08 h / 12 - 105 °C
  • 4
  • [ 177793-79-2 ]
  • [ 135729-61-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: boron trifluoride methanol complex; sodium tetrahydroborate / methanol / 3.3 h / -5 - 105 °C 1.2: 1 h / 70 °C / Cooling with ice 1.3: 35 °C 2.1: toluene / 12.08 h / 12 - 105 °C 3.1: boron trifluoride methanol complex / 3.5 h / 40 - 105 °C / Industrial scale 3.2: 0.5 h / 105 °C / Industrial scale 3.3: Industrial scale
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