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[ CAS No. 717133-25-0 ] {[proInfo.proName]}

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Chemical Structure| 717133-25-0
Chemical Structure| 717133-25-0
Structure of 717133-25-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 717133-25-0 ]

CAS No. :717133-25-0 MDL No. :MFCD10000612
Formula : C20H24ClFN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 378.87 Pubchem ID :-
Synonyms :

Safety of [ 717133-25-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338-P280 UN#:N/A
Hazard Statements:H319-H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 717133-25-0 ]

* 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 [ 717133-25-0 ]

[ 717133-25-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 717133-25-0 ]
  • [ 103146-25-4 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; In di-isopropyl ether; water;pH > 9; C, To 120g citalopram diol intermediate hydrochloric salt, namely 4-dimethylamino-1-(4-bromo-2-hydroxylmethylphenyl)-1-(4-fluorophenyl)-butyl-1-ol, which had a purity of 94.6% and contained 3.0%(w/w) impurities of the previous mentioned Formula III( wherein Z is Br), 400ml hot water and 40ml ethanol were added; after the salt was dissolved entirely, 12g active carbon was added and the solution was stirred for 30 min. Then the solution was filtrated and the active carbon filtrated cake was washed with 20ml hot water. The washing liquid was merged into the filtrate and the filtrate was concentrated to a residue volume of 240ml under vacuum in a hot water bath. Then the solution was placed at 5C for about 24 hours and a lot of crystal crystallized. The solution was filtrated to give citalopram diol intermediate hydrochloric salt crystal. The obtained crystal salt contained 2.9%(w/w) impurities of the previous mentioned Formula III (wherein Z is Br). 100g obtained crystal salt was suspended and mixed in 400ml isopropyl ether and the pH of the suspension was adjusted to above 9 with NaOH solution. The lower water phase was separated and discarded, the organic phase was dried, concentrated under vacuum to eliminate part of isopropyl ether. Then to the 160ml residue that still contained isopropyl ether, 400ml n-heptane was added and stirred to give crystal, the obtained crystal was recrystallized in 70% ethanol solution and citalopram diol intermediate free alkali crystal with a purity of 99.9% and a yield of 91.2% was obtained.
  • 2
  • [ 19070-16-7 ]
  • [ 82104-74-3 ]
  • [ 352-13-6 ]
  • [ 717133-25-0 ]
YieldReaction ConditionsOperation in experiment
5-cyanophthalide (31.8 g, 1.0 equiv.), tetrahydrofuran (300 ml), and a certain amount of metal salt MAXB were added. The reactants were cooled to ?5° C., and the reaction was carried out under stirring for 0.5 hour. At a temperature controlled at ?5 to 0° C., 300 ml of a solution of p-fluorophenyl magnesium bromide in tetrahydrofuran (0.8 mmol/ml, 1.2 equiv.) was slowly added dropwise. After the addition, the reaction was carried out under stirring for 1 hour while maintaining the temperature. The temperature was raised to 5° C. and controlled between 5 to 10° C. 260 ml solution of N,N-dimethylaminopropyl magnesium chloride in tetrahydrofuran (1.0 mmol/ml, 1.3 equivalent) was slowly added dropwise. After the addition, the reaction was carried out under stirring for 0.5 hour while maintaining the temperature. The reaction solution was added into 500 mL of saturated aqueous solution of ammonium chloride, and stirred for 2 hours. The organic layer was separated. The aqueous layer was extracted twice with toluene 200 ml×2. The organic layers were combined, washed twice with water 200 ml×2, and concentrated to dry. A sample was taken and tested with HPLC for the conversion rate of the reaction and the purity of the main product in the reaction solution. 400 ml of toluene was added to the dry product. The mixture was heated to 50° C., and stirred till clear. 100 ml of water was added to the mixture. The aqueous layer was adjusted with concentrated hydrochloric acid to a pH of 4.0-5.0, and separated. The toluene layer was further extracted once with 50 ml of water. The aqueous layers were combined, and cooled to 5° C. A large amount of solid was precipitated. The mixture was stirred for 60 minutes while maintaining the temperature, and filtered. The filter cake was dried under vacuum at 50° C. to give citalopram diol hydrochloride. The yield was calculated. Different equivalents and types of metal salt MAXB, and different organic solvents are used for performing the above experiment. The results are shown in the following table:
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