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23348-99-4

23348-99-4 Structure

23348-99-4 Structure
IdentificationBack Directory
[Name]

1-(4-NITRO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
[CAS]

23348-99-4
[Synonyms]

1-(4-NITRO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
1-(4-nitrophenyl)cyclopropane-1-carboxylic acid
1-(4-nitrophenyl)-1-cyclopropanecarboxylic acid
Cyclopropanecarboxylic acid, 1-(4-nitrophenyl)-
[Molecular Formula]

C10H9NO4
[MDL Number]

MFCD07374438
[MOL File]

23348-99-4.mol
[Molecular Weight]

207.18
Chemical PropertiesBack Directory
[Melting point ]

190.5-193 °C
[Boiling point ]

403.8±38.0 °C(Predicted)
[density ]

1.480±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

3.78±0.20(Predicted)
[Appearance]

Light yellow to khaki Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-NITRO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID(23348-99-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

1-(4-NITRO-PHENYL)-CYCLOPROPANECARBONITRILE

408328-42-7

1-(4-NITRO-PHENYL)-CYCLOPROPANECARBOXYLIC ACID

23348-99-4

The general procedure for the synthesis of 1-(4-nitrophenyl)-cyclopropanecarboxylic acid was as follows: 1-(4-nitrophenyl)cyclopropanecarbonitrile (12.77 g, 67.16 mmol) was placed in a 250 mL three-necked round-bottomed flask and water (79 mL) and concentrated sulfuric acid (56 mL) were added. The reaction mixture was heated to reflux overnight and the reaction progress was monitored by thin layer chromatography (TLC) (Spreading agent: 100% ethyl acetate, product Rf value 0.49). After completion of the reaction, the reaction mixture was cooled and the precipitate was collected by filtration. The resulting solid was washed with distilled water (30 mL) and subsequently dried under vacuum overnight to afford the target product 1-(4-nitrophenyl)-cyclopropanecarboxylic acid (8.67 g, 41.45 mmol, 62% yield). The structure of the product was confirmed by 1H-NMR (DMSO-d6): δ 8.21-8.11 (d, 2H), 7.58-7.64 (d, 2H), 1.5-1.6 (t, 2H), 1.2-1.3 (t, 2H).

[References]

[1] Patent: WO2005/34837, 2005, A2. Location in patent: Page/Page column 46
[2] Patent: WO2005/34837, 2005, A2. Location in patent: Page/Page column 46
[3] Advanced Synthesis and Catalysis, 2018, vol. 360, # 22, p. 4306 - 4311
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