ChemicalBook--->CAS DataBase List--->170098-88-1

170098-88-1

170098-88-1 Structure

170098-88-1 Structure
IdentificationBack Directory
[Name]

1-Chloro-4-fluoro-2-Methyl-5-nitrobenzene
[CAS]

170098-88-1
[Synonyms]

1-Chloro-4-fluoro-2-Methyl-5-nitrobenzene
Benzene, 1-chloro-4-fluoro-2-methyl-5-nitro-
[Molecular Formula]

C7H5ClFNO2
[MDL Number]

MFCD11110548
[MOL File]

170098-88-1.mol
[Molecular Weight]

189.57
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[Appearance]

Light brown to yellow Solid-Liquid Mixture
Safety DataBack Directory
[HS Code ]

2904990090
Spectrum DetailBack Directory
[Spectrum Detail]

1-Chloro-4-fluoro-2-Methyl-5-nitrobenzene(170098-88-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-Chloro-5-fluorotoluene

33406-96-1

1-Chloro-4-fluoro-2-Methyl-5-nitrobenzene

170098-88-1

The general procedure for the synthesis of 2-chloro-5-fluoro-4-nitrotoluene from 2-chloro-5-fluorotoluene was as follows: to a stirred concentrated solution of 2-chloro-5-fluorotoluene (0.500 g, 3.46 mmol, Lancaster, for direct use) was added H2SO4 (5.0 mL) slowly at 0 °C. Subsequently, KNO3 (0.350 g, 3.46 mmol) was added all at once. The reaction mixture was gradually warmed to 28 °C and stirred at this temperature overnight. Upon completion of the reaction, the mixture was quenched by pouring it into ice (50 g) and extracted with ether (2 x 50 mL). The combined ether layers were dried with anhydrous Na2SO4 and subsequently concentrated under reduced pressure to remove the solvent. The obtained oily product was further dried under vacuum to give 0.616 g (94% yield) of 2-chloro-5-fluoro-4-nitrotoluene as an oil, which was used directly in the subsequent reaction.1H NMR (CDCl3) data were as follows: δ 2.459 (s, 3H), 7.193 (d, 1H, J=11.1 Hz), 8.083 (d, 1H, J= 6.6Hz).

[References]

[1] Patent: WO2007/107566, 2007, A1. Location in patent: Page/Page column 45
[2] Patent: WO2007/36718, 2007, A2. Location in patent: Page/Page column 53
[3] Patent: WO2008/119721, 2008, A1. Location in patent: Page/Page column 60
[4] Journal of Organic Chemistry, 1995, vol. 60, # 18, p. 5838 - 5842
[5] Patent: US5631373, 1997, A
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