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Chemical Structure| 188416-35-5 Chemical Structure| 188416-35-5

Structure of 188416-35-5

Chemical Structure| 188416-35-5

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Product Details of [ 188416-35-5 ]

CAS No. :188416-35-5
Formula : C16H13ClF3N5O
M.W : 383.76
SMILES Code : OC(CN1N=CN=C1)(C2=CC=C(F)C=C2F)C(C)C3=NC=NC(Cl)=C3F
MDL No. :MFCD08063925

Safety of [ 188416-35-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H341-H351-H361-H371-H372-H373-H412
Precautionary Statements:P201-P202-P260-P264-P270-P273-P280-P301+P310+P330-P308+P311-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 188416-35-5 ]

* 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 [ 188416-35-5 ]

[ 188416-35-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 188416-20-8 ]
  • [ 188416-35-5 ]
YieldReaction ConditionsOperation in experiment
25 g With sodium hydroxide; In dichloromethane; water; at 10℃; for 2.0h;pH 11; 14.0 g of the hydrochloride salt of Compound III was dissolved in 200.0 mL of dichloromethane and 90.0 mL of water, stirred at 10 C., and 40% NaOH was added dropwise to about 7 mL to adjust pH = 11. Continue stirring at 10 C for 2h. After 2h, the layers were separated, and the aqueous layer was extracted once with dichloromethane (50.0 mL). The organic phases were combined, washed with saturated brine, and concentrated to dryness to obtain about 25 g of light yellow oil. The oil was dissolved in a 250 mL single-necked flask (R1). To 200 mL of methanol, add 10.0 g of sodium acetate, 1.3 g of 5% Pd / C (water content: 68%), and hydrogenate at 25 C under normal pressure overnight. The reaction was detected by TLC. The Pd / C was recovered by filtration. The filtrate was concentrated and dried. 70 mL of dichloromethane and 70 mL of water were added. The pH was adjusted to 11 with 40% NaOH aqueous solution. The layers were separated. The organic phase was washed with saturated brine, dried over anhydrous magnesium sulfate, filtered, concentrated and dried, and added 35 ml of isopropanol and stirred at room temperature for 2 hours. Then add 35mL of petroleum ether and stir rapidly at 5 C for 2h. After filtration, the filter cake was washed twice with cold isopropanol (2 × 5 mL) and dried to obtain about 8.7 g of mixture 4 (yield: 75%).
 

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[ 188416-35-5 ]

Chemical Structure| 188416-20-8

A858745 [188416-20-8]

3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride

Reason: Free-salt