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[ CAS No. 24168-96-5 ] {[proInfo.proName]}

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Chemical Structure| 24168-96-5
Chemical Structure| 24168-96-5
Structure of 24168-96-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 24168-96-5 ]

CAS No. :24168-96-5 MDL No. :MFCD01721647
Formula : C18H15Cl4N3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :NNGQLSIGRSTLLU-UHFFFAOYSA-N
M.W : 479.14 Pubchem ID :159968
Synonyms :
Isoconazole (nitrate);R 15454;Adestan G 100
Chemical Name :1-(2-((2,6-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole nitrate

Safety of [ 24168-96-5 ]

Signal Word:Danger Class:5.1
Precautionary Statements:P220-P210-P264-P280-P370+P378-P337+P313 UN#:1479
Hazard Statements:H315-H319-H272 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 24168-96-5 ]

* 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 [ 24168-96-5 ]

[ 24168-96-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 27523-40-6 ]
  • [ 24168-96-5 ]
YieldReaction ConditionsOperation in experiment
98% With nitric acid In acetone for 12h; 1-[2-(2,6-Dichlorobenzyloxy)-(2,6-dichlorophenyl)ethyl]-1H-imidazole(10) and its salt (15) To a suspension of 60% dispersion of NaHin mineral oil (0.25 g, 7.5 mmol) in dry 1,4-dioxane (15 mL) atroom temperature under a nitrogen atmosphere was added dropwisea solution of 13 (1.28 g, 5 mmol) in 1,4-dioxane (20 mL).The reaction mixture was refluxed for 1 h. 1,3-Dichloro-2-(chloromethyl)benzene 14 (1 g, 5 mmol) was added dropwise and refluxedfor 2.5 h. Solvent was removed in vacuum, and after thatthe reaction was quenched with water (100 mL). The aqueous solutionwas extracted with ethyl acetate (3x50 mL), the organicphases were combined, dried over anhydrous Na2SO4, and filtered.The solvent was removed by distillation under reduced pressure,giving a crude reaction mixture that was purified followed by crystallizationfrom acetone to give 1.45 g of ester 10. Yield: 70%. M.p.115-116 C.A solution of base 10 (1.2 g, 2.8 mmol) in acetone (5 mL) wastreated with concentrated (86%) HNO3 (5 mL) followed by stirringfor 12 h. The white solid 15 was filtered and dried over P2O5 in vacuumdesiccator. Yield 1.35 g, 98%. M.p. 203-204 C. IR (KBr, cm 1):1381 (w), 1380 (w), 1510 (m), 1150 (m), 810 (s), 720 (s). 1H NMR(DMSO-d6, ppm): d = 4.40-4.50 (m, 2 H, 1CH), 4.62 (d, J = 10.8 Hz, 2H, -OCH2), 5.12-5.20 (m, 1 H, 2CH), 7.30-7.42 (m, 3 H, phenyl of 2-(2,6-dichlorobenzyloxy)), 7.48-7.59 (m, 2 H, 5CH, 6CH), 7.60 (s, 2 H,4CH, 5CH of the imidazole ring), 7.72 (s, 1 H, 3CH) 9.04 (s, 1 H, 2CHof the imidazole ring), 14.6 (s, 1 H, HNO3). 13C NMR (DMSO-d6,ppm): d = 138.10 (1C), 137.79 (13C), 135.35 (6C), 133.12 (14C, 7C),131.88 (10C), 131.22 (2C), 130.00 (16C), 129.41 (7C), 128.21 (8C),128.16 (15C, 18C) 127.13 (11C), 125.18 (9C), 118.29 (3C), 74.31(5C), 71.80 (12C), 50.99 (4C). Anal. Calc. for C18H15Cl4N3O4(479.14): C, 45.12; H, 3.16; N, 8.77; Found C, 45.40; H, 3.15%.
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