381242-61-1|1-(4-Nitro-2-(trifluoromethyl)phenyl)piperazine| Ambeed

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Quality Control of [ 381242-61-1 ] Purity: 98% SDS Specification

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Product Details of [ 381242-61-1 ]

CAS No. :	381242-61-1
Formula :	C₁₁H₁₂F₃N₃O₂
M.W :	275.23
SMILES Code :	FC(C1=CC([N+]([O-])=O)=CC=C1N2CCNCC2)(F)F
MDL No. :	MFCD01933012
InChI Key :	KMGDPTUNJDHJFZ-UHFFFAOYSA-N
Pubchem ID :	2771413

Safety of [ 381242-61-1 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302+H312+H332
Precautionary Statements:	P280

Application In Synthesis of [ 381242-61-1 ]

* 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.

Downstream synthetic route of [ 381242-61-1 ]

[ 381242-61-1 ] Synthesis Path-Downstream 1~35

1
[ 381242-61-1 ]
[ 88098-79-7 ]
[ 1217792-53-4 ]

References: [1]Molecules,2009,vol. 14,p. 4120 - 4135.

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[ 193902-86-2 ]
[ 381242-61-1 ]

References: [1]Molecules,2009,vol. 14,p. 4120 - 4135.

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[ 110-85-0 ]
[ 777-37-7 ]
[ 381242-61-1 ]

Yield	Reaction Conditions	Operation in experiment
78%	In acetonitrile; for 10h;Reflux;	To a stirred mixture of 1-chloro-4-nitro-2-(trifluoromethyl)benzene (33.9 g, 150 mmol) and CH3CN (300 mL), piperazine anhydrous (26.94 g, 300 mmol) was added and reflux for 10 h. The reaction was monitored by TLC. After filtration, the filtrate was evaporated under reduced pressure. Water (60 mL) was added to the residue, which was then extracted with ethyl acetate (80 mL × 3). The extract was washed with saturated NaCl solution (30 mL × 3), dried over anhydrous Na2SO4 and concentrated. The residue was crystallized to afford a white solid 2 32.2 g, in 78% yield: m.p. 51-53 C.
	With triethylamine; In chloroform; acetonitrile; for 3h;Reflux;	According to scheme 1, step 1: Commercially available anhydrous piperazine (13.4 mmol) was dissolved in chloroform. To this solution, Triethylamine (13.4 mmol) was added and then 1 -chloro-4-nitro-2-(trifluoromethyl)benzene (6.7 mmol) dissolved in acetonitrile (10mL) was added slowly within two hours with stirring under reflux. The reaction mixture was further refluxed for one hour. The reaction was over and solvent was evaporated under reduced pressure to get yellow coloured crude. The crude was dissolved in ethyl acetate (20 mL) and washed with water (10 mL x 2). The organic layer was concentrated under reduced pressure to obtain yellow oil. The desired product 1-(4-nitro-2-(trifluoromethyl)phenyl)piperazine was obtained by column chromatography using chloroform-methanol as eluent. The compound 1 -(4-nitro-2- (trifluoromethyl)phenyl)piperazine was obtained as yellow dense oil.

References: [1]European Journal of Medicinal Chemistry,2011,vol. 46,p. 3167 - 3176.
[2]Patent: WO2014/122670,2014,A1 .Location in patent: Page/Page column 45.

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[ 1312711-15-1 ]