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Structure of 575-04-2

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Synonyms: MFC

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Quality Control of [ 575-04-2 ] Purity: 97% SDS Specification

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Product Details of [ 575-04-2 ]

CAS No. :	575-04-2
Formula :	C₁₁H₇F₃O₃
M.W :	244.17
SMILES Code :	O=C1C=C(C(F)(F)F)C2=C(O1)C=C(OC)C=C2
Synonyms :	MFC
English Name :	7-Methoxy-4-(trifluoromethyl)-2H-chromen-2-one
MDL No. :	MFCD00132980
InChI Key :	HAZHUELNIGDYQH-UHFFFAOYSA-N
Pubchem ID :	688586

Safety of [ 575-04-2 ]

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Application In Synthesis of [ 575-04-2 ]

* 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 [ 575-04-2 ]

[ 575-04-2 ] Synthesis Path-Downstream 1~14

1
[ 150-19-6 ]
[ 372-31-6 ]
[ 575-04-2 ]

Yield	Reaction Conditions	Operation in experiment
82%	With iodine In toluene at 90℃; for 18h;	General procedure: Iodine (25 mol%) was added into a mixture of 3-alkoxyphenol (5 mmol) and ethyl 4,4,4-trifluoroacetoacetate (6 mmol) in toluene(1 mL). The reaction was heated at 90°C and stirred for a period of 18 hours and monitored by TLC. Upon completion, the reaction mixture was cooled to room temperature, diluted with 10 mL of ethyl acetate, and washed with 10 mL of distilled water. The combined organic layers were dried over anhydrous sodium sulfate and the solvent removed under vacuum. Purification of the product was performed via flash chromatography (silica gel, hexane/ethyl acetate = 95/5 to80/20).
63%	In trifluoroacetic acid at 100℃; for 0.5h; microwave irradiation;
24%	With zinc(II) chloride In ethanol for 12h; Heating;

	With sulfuric acid
73 %	With Fe₃O₄(at)C(at)PrNH(at)BuSO₃H magnetic nanoparticles In neat (no solvent) at 120℃; Green chemistry;

References: [1]Degrote, Jami; Tyndall, Stephen; Wong, Koon Fai; Vanalstine-Parris, Melissa [Tetrahedron Letters, 2014, vol. 55, # 49, p. 6715 - 6717].
[2]Katkevičs; Kontijevskis; Mutule; Sūna [Chemistry of Heterocyclic Compounds, 2007, vol. 43, # 2, p. 151 - 159].
[3]Bissell, Eugene R.; Larson, D. Kristin; Croudace, Michael C. [Journal of Chemical and Engineering Data, 1981, vol. 26, # 3, p. 348 - 350].
[4]Whalley [Journal of the Chemical Society, 1951, p. 3235,3238].
[5]Soleimani-Amiri, Somayeh; Salemi, Yasaman [New Journal of Chemistry, 2023, vol. 48, # 5, p. 2299 - 2310].

2
[ 575-04-2 ]
[ 575-03-1 ]

Yield	Reaction Conditions	Operation in experiment
	With cytochrome P₄₅₀ 2C₉ Enzymatic reaction;
	With glucose-6-phosphate dehydrogenase; magnesium(II) chloride hexahydrate; human liver cytochrome P₄₅₀ isoform 2C₉; nicotinamide adenine dinucleotide phosphate; glucose-6-phosphate dipotassium salt In aq. phosphate buffer; acetonitrile at 37℃; for 0.75h; Enzymatic reaction;
	With human cytochrome P₄₅₀ 2C₉ in yeast Pichia pastoris (Komagataella phaffii) whole cell at 30℃; for 1h;

References: [1]Hu, Zhe-Yi; Li, Xiu-Xue; Du, Fei-Fei; Yang, Jun-Ling; Niu, Wei; Xu, Fang; Wang, Feng-Qing; Li, Chuan; Sun, Yan [Acta Pharmacologica Sinica, 2013, vol. 34, # 11, p. 1437 - 1448].
[2]Ericsson, Therese; Sundell, Jesper; Torkelsson, Angelica; Hoffmann, Kurt-Jürgen; Ashton, Michael [Xenobiotica, 2014, vol. 44, # 7, p. 615 - 626].
[3]Garrigós-Martínez, Javier; Weninger, Astrid; Montesinos-Seguí, José Luis; Schmid, Christian; Valero, Francisco; Rinnofner, Claudia; Glieder, Anton; Garcia-Ortega, Xavier [Microbial Cell Factories, 2021, vol. 20, # 1].

3
[ 575-03-1 ]
[ 77-78-1 ]
[ 575-04-2 ]