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1075705-01-9

1075705-01-9 Structure

1075705-01-9 Structure
IdentificationBack Directory
[Name]

4-fluoro-2-Methoxy-5-nitroaniline
[CAS]

1075705-01-9
[Synonyms]

AZD9291 intermediates
uoro-2-methoxy-5-nitroaniL
4-Fluoro-2-mehoxy-5-nitroaniline
4-fluoro-2-Methoxy-5-nitroaniline
4-Fluoro-2-Methoxy-5-nitrobenzenaMine
4-fluoro-2-methoxy-5-nitrophenylamine
4-Fluoro-2-methoxy-5-nitroaniline 95+%
Benzenamine, 4-fluoro-2-methoxy-5-nitro-
4-fluoro-2-Methoxy-5-nitroaniline ISO 9001:2015 REACH
2-Amino-5-fluoro-4-nitroanisole, 4-Fluoro-5-nitro-o-anisidine
4-fluoro-2-methoxy-5-nitroaniline Molecular Formula: C7H7FN2O3 Molecular Weight: 186.14
[EINECS(EC#)]

806-172-0
[Molecular Formula]

C7H7FN2O3
[MDL Number]

MFCD23098941
[MOL File]

1075705-01-9.mol
[Molecular Weight]

186.14
Chemical PropertiesBack Directory
[Melting point ]

130 °C
[Boiling point ]

354.8±37.0 °C(Predicted)
[density ]

1.412±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

powder to crystal
[pka]

2.31±0.10(Predicted)
[color ]

Light yellow to Brown
[InChI]

InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3
[InChIKey]

FYSIGSQCZXQTIH-UHFFFAOYSA-N
[SMILES]

C1(N)=CC([N+]([O-])=O)=C(F)C=C1OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[HS Code ]

2921420090
Hazard InformationBack Directory
[Uses]

4-Fluoro-2-methoxy-5-nitroaniline is used as a reagent for preparing the anticancer drug Mereletinib.
[Pharmaceutical Applications]

4-fluoro-2-Methoxy-5-nitroaniline is a specialized intermediate in pharmaceutical production. It's used for synthesizing more complex chemicals, often integral parts of final drug molecules.
[Synthesis]

4-FLUORO-2-METHOXYANILINE(551 mg, 3.90 mmol) is dissolved in dichloromethane (39.0 mL), concentrated sulfuric acid (1.85 mL) is added dropwise with stirring under ice-cooling, and then concentrated nitric acid (267 μL, 5.85 mmol) is added dropwise. After stirring for 3 hours under ice-cooling, saturated aqueous sodium bicarbonate was added until pH 8 was reached. After washing with saturated aqueous sodium bicarbonate solution, washing with saturated brine, the organic layer was dried over sodium sulfate and evaporated under reduced pressure to obtain 675 mg of the 4-fluoro-2-Methoxy-5-nitroaniline (yield 93%).
1075705-01-9.png
[References]

[1] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 5, p. 2898 - 2901
[2] Patent: WO2017/120429, 2017, A1. Location in patent: Page/Page column 340
[3] Patent: CN105524068, 2016, A. Location in patent: Paragraph 0181; 0183
[4] Patent: CN105884695, 2016, A. Location in patent: Paragraph 0233; 0234; 0235
[5] Patent: US2017/8889, 2017, A1. Location in patent: Paragraph 0135; 0138
Spectrum DetailBack Directory
[Spectrum Detail]

4-fluoro-2-Methoxy-5-nitroaniline(1075705-01-9)1HNMR
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