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[ CAS No. 204387-53-1 ] {[proInfo.proName]}

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Chemical Structure| 204387-53-1
Chemical Structure| 204387-53-1
Structure of 204387-53-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 204387-53-1 ]

CAS No. :204387-53-1 MDL No. :MFCD06656005
Formula : C5H8N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 96.13 Pubchem ID :-
Synonyms :

Safety of [ 204387-53-1 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P361-P363-P403+P233-P405-P501 UN#:2922
Hazard Statements:H302-H315-H318-H311+H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 204387-53-1 ]

* 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.

  • Upstream synthesis route of [ 204387-53-1 ]
  • Downstream synthetic route of [ 204387-53-1 ]

[ 204387-53-1 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 204387-53-1 ]
  • [ 79-04-9 ]
  • [ 207557-35-5 ]
YieldReaction ConditionsOperation in experiment
90.2% With potassium carbonate In tetrahydrofuran at 0 - 10℃; for 1 h; Inert atmosphere In the presence of nitrogen, 9.61 g (100 mmol) of (S)-2-cyanopyrrolidine was dissolved in tetrahydrofuran to dissolve potassium carbonate.27.64 g (200 mmol) was added to the reaction system, and then the system was cooled down to 0 ~ 10 °C and chloroacetyl chloride 12.42 g was added dropwise(110 mmol) stirring reaction for 1 hour, TLC detection reaction is completed, saturated sodium bicarbonate washing, dichloromethane extraction, decompression concentratedAfter fractionation and column chromatography, 15.57 g of vildagliptin intermediate (S)-1-(2-chloroacetyl)-2-cyanopyrrolidine was obtained.90.2percent, purity 99.37percent.
75 g at 20 - 30℃; Inert atmosphere Dichloromethane (500 ml), L-Prolinamide (100 g), potassium carbonate (60.50 g) were mixed and stirred under nitrogen atmosphere in round bottom flask The reaction mass was cooled to 10-15°C and then Di-tert-butyl dicarbonate (210.30 g) was added. Reaction mixture was stirred till completion of the reaction. After completion water (500m1) was added and product was extracted in dichloromethane. Dichloro methane was removed and then dimethyl formamide (140 ml) and dichloromethane (700 ml) were added under nitrogen atmosphere. Cyanuric chloride (72.70 g) was charged in 2-3 equal lots to the reaction mass at 20-25°C under nitrogen atmosphere. The reaction mass was maintained at 35-40°C for 4-5 hrs. After completion of the reaction solid was filtered and washed with MDC. Methane sulfonic acid (252.60 g) was added to the filtrate and heated the reaction mass to 40-45°C for 3-4 hrs. After completion of the reaction the reaction mass was cooled at 0-5°C and Triethyl amine (88.65 g) and Chloroacetyl chloride (118.70 g) were added. The reaction mass was maintained at 20-30°C for 1-2 hrs under nitrogen atmosphere. After completion of the reaction water was charged and product was extracted in dichloromethane. Organic layer was washed first with dilute HC1 solution and then with ammonia solution. Organic solvent was removed and product was crystallized using isopropyl alcohol. Yield: 75.0gm
Reference: [1] Patent: CN107954914, 2018, A, . Location in patent: Paragraph 0064; 0065; 0066
[2] Patent: WO2014/20462, 2014, A1, . Location in patent: Page/Page column 9
  • 2
  • [ 204387-53-1 ]
  • [ 79-11-8 ]
  • [ 207557-35-5 ]
YieldReaction ConditionsOperation in experiment
51% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 30℃; for 5 h; Add 100g (S)-2-cyanopyrrolidine to 1L reaction flaskAnd 500ml methylene chloride,Cool down to 010°CJoin 214.5g DIEA,173.5g EDCIAnd 20.4g HoBt,After addition, stir for 1 h at 0-10 °C.82.0 g chloroacetic acid was added in batches,After the addition, the temperature was raised to 20-30°C and the reaction was incubated for 5 hours.The reaction solution was poured into 500 ml of purified water, stirred for 10 minutes, and allowed to stand for phase separation.The aqueous phase was discarded and the organic phase was washed with 300 ml of 5percent aqueous sodium bicarbonate solution. The organic phase was added with 50 g of anhydrous sodium sulfate and stirred for 1 h at 20-30°C.After filtration, the filter cake was washed with 50 ml of dichloromethane, and the filtrate was concentrated to dryness under reduced pressure. 300 ml of isopropanol was added and the mixture was stirred at 0 1010° C. for 2 h.Filtration, washing the filter cake with 100 ml of isopropanol, vacuum drying the filter cake at 45[deg.] C. for 4 h to obtain 91.6 g of Intermediate-2, yield 51.0percent
Reference: [1] Patent: CN106966947, 2017, A, . Location in patent: Paragraph 0045
  • 3
  • [ 7677-24-9 ]
  • [ 739363-75-8 ]
  • [ 204387-53-1 ]
YieldReaction ConditionsOperation in experiment
14.6% With silver(I) bromide; tris(2-phenylpyridine)ruthenium In N,N-dimethyl-formamide at 90℃; Inert atmosphere In the presence of nitrogen, 1.97 g (3 mmol) of the silver bromide, 4.2 g (10 mmol) of the compound represented by Formula II, are shown in Formula I:The compound 26g (100 mmol) and trimethylsilyl cyanide 10.91 g (110 mmol) are heated in N,N-dimethylformamideThe reaction was carried out at 90°C. After the reaction was completed by TLC, the reaction was cooled to room temperature, poured into water and extracted with dichloromethane.After washing with NaCl, the organic phase was concentrated under reduced pressure, and (S)-2-cyanopyrrolidine was obtained by column chromatography with a yield of 14.6percent and an ee value of 21.45percent.
Reference: [1] Patent: CN107954914, 2018, A, . Location in patent: Paragraph 0061; 0062; 0063
  • 4
  • [ 147-85-3 ]
  • [ 739363-75-8 ]
  • [ 204387-53-1 ]
Reference: [1] Patent: CN107954914, 2018, A,
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