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221198-99-8

221198-99-8 Structure

221198-99-8 Structure
IdentificationBack Directory
[Name]

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
[CAS]

221198-99-8
[Synonyms]

3-fluoro-4-(4-methyl-1-pi...
3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
3-Fluoro-4-(4-Methyl-1-piperazinyl)aniline
1-(4-Amino-2-fluorophenyl)-4-methylpiperazine
3-Fluoro-4-(4-methylpiperazin-1-yl)phenylamine
3-fluoro-4-(4-Methyl-1-piperazinyl)benzenaMine
Benzenamine, 3-fluoro-4-(4-methyl-1-piperazinyl)-
[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amine dihydrochloride
[Molecular Formula]

C11H16FN3
[MDL Number]

MFCD05663793
[MOL File]

221198-99-8.mol
[Molecular Weight]

209.263
Chemical PropertiesBack Directory
[Melting point ]

87-89
[Boiling point ]

349.5±42.0 °C(Predicted)
[density ]

1.167±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[pka]

7.56±0.42(Predicted)
[Appearance]

Light brown to brown Solid
Questions And AnswerBack Directory
[Uses]

3-Fluoro-4-(4-methylpiperazinyl)aniline can be used as a pharmaceutical synthesis intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P321
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2921420090
Spectrum DetailBack Directory
[Spectrum Detail]

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline(221198-99-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(2-FLUORO-4-NITROPHENYL)-4-METHYLPIPERAZINE

221198-29-4

3-Fluoro-4-(4-methylpiperazin-1-yl)aniline

221198-99-8

General procedure: 1-(2-fluoro-4-nitrophenyl)-4-methylpiperazine (14.76 g, 61.70 mmol) was dissolved in tetrahydrofuran (THF, 80 mL) and palladium/carbon catalyst (Pd/C, 3.00 g) was added. Hydrogen (H2) was passed into the reaction mixture at room temperature and the reaction was stirred overnight. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford 3-fluoro-4-(4-methylpiperazinyl)aniline as an off-white solid (11.99 g, 93% yield).

[References]

[1] Patent: US2002/151554, 2002, A1
[2] Patent: WO2014/12360, 2014, A1. Location in patent: Paragraph 00293
[3] Patent: US2015/87639, 2015, A1. Location in patent: Paragraph 0550
[4] Patent: TWI607995, 2017, B. Location in patent: Page/Page column 128
[5] Journal of Medicinal Chemistry, 2008, vol. 51, # 12, p. 3507 - 3525
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