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[ CAS No. 871239-18-8 ] {[proInfo.proName]}

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Chemical Structure| 871239-18-8
Chemical Structure| 871239-18-8
Structure of 871239-18-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 871239-18-8 ]

CAS No. :871239-18-8 MDL No. :MFCD17170401
Formula : C9H8N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 176.17 Pubchem ID :-
Synonyms :

Safety of [ 871239-18-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 871239-18-8 ]

* 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 [ 871239-18-8 ]

[ 871239-18-8 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 871239-18-8 ]
  • [ 871239-17-7 ]
  • 2-[3-bromo-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-8-methyl-4-oxo-4H-3,1-benzoxazine-6-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
Step H: Preparation of 2-[3-bromo-1-(2-chlorophenyl)-1H-pyrazol-5-yl]-8-methyl-4- oxo-4H-3,1-benzoxazine-6-carbonitrile; To a solution of 3-bromo-1- (2-chlorophenyl)-1H-pyrazole-5-carboxylic (i. e. the carboxylic acid product of Step E) (2.0 g, 6.29 mmol) and 2-amino-3-methyl-5- cyanobenzoic acid (i. e. the product of Step G) (1.1 g, 6.29 mmol) in acetonitrile (60 mL) at room temperature was added 3-picoline (3.2 mL, 32.7 mmol). The reaction mixture was stirred for 5 minutes and then cooled to-10 C. Methanesulfonyl chloride (1.3 mL, 16.4 mmol) was then added dropwise, and after completion of the addition the reaction mixture was warmed to room temperature. On stirring overnight at room temperature, the reaction mixture formed a solid precipitate. The solid was isolated by filtration, washed with water, dissolved in excess methylene chloride and dried (MgS04). After removal of solvent, the residue was purified by chromatography on silica gel to afford the title compound (1.9 g). ¹H NMR (CDCI3) No. 8.31 (s, 1 H), 7.73 (s,lH), 7.45-7.6 (m, 4H), 7.31 (s,lH), 1.84 (s,lH).
  • 2
  • [ 438450-39-6 ]
  • [ 871239-18-8 ]
  • C23H22ClF3N8O3S [ No CAS ]
  • 4
  • [ 206548-13-2 ]
  • [ 871239-18-8 ]
YieldReaction ConditionsOperation in experiment
76.7% With zinc(II) cyanide; zinc; In 1,4-dioxane; at 125℃; for 12h; To a 50 mL round-bottom flask, 10.0 mmol of <strong>[206548-13-2]2-amino-3-methyl-5-bromobenzoic acid</strong> having the structural formula as shown in IV-2, 10 mL of 1,4-dioxane and 12.0 mmol of zinc cyanide and 0.5 gram of activated zinc powder were added, heated to 125 C. under protection by nitrogen gas and reacted for 12 hours, filtered and the solvent was removed under reduced pressure, after a conventional treatment 1.35 grams of 2-amino-3-methyl-5-cyanobenzoic acid having a structural formula as shown in IV-3 was obtained, and the yield was 76.7%
  • 5
  • [ 206548-13-2 ]
  • copper(l) cyanide [ No CAS ]
  • [ 871239-18-8 ]
YieldReaction ConditionsOperation in experiment
52.24% With potassium iodide; In N,N-dimethyl-formamide; for 12h;Reflux; In a 250 ml round-bottomed flask, followed by adding 15 g of 3-methyl-5-bromo-anthranilic acid, 1.08 g of potassium iodide, 8.76 g of cuprous cyanide, 100 ml of DMF, was heated under reflux for 12 hours with stirring, TLC monitoring after completion of the reaction, the reaction system was poured into 500 ml of ice water, 15 ml of ethylenediamine was added and stirred for 10 minutes and filtered to remove the filter cake, and the filtrate was acidified with dilute hydrochloric acid to about pH = 4, the precipitated solid was filtered, the filter cake washed with water and dried to obtain the product in a yield of 52.24%.
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