ChemicalBook--->CAS DataBase List--->68043-53-8

68043-53-8

68043-53-8 Structure

68043-53-8 Structure
IdentificationMore
[Name]

6-Nitrochroman-4-one
[CAS]

68043-53-8
[Synonyms]

6-NITROCHROMAN-4-ONE
6-NITROCHROMANONE
6-Nitro-4-chromanone
6-Nitrochroman-4-one 98%
6-Nitro-2,3-dihydrochromen-4-one
[Molecular Formula]

C9H7NO4
[MDL Number]

MFCD04038185
[Molecular Weight]

193.16
[MOL File]

68043-53-8.mol
Chemical PropertiesBack Directory
[Melting point ]

116-119
[Boiling point ]

378.7±42.0 °C(Predicted)
[density ]

1.424±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light brown to brown Solid
[CAS DataBase Reference]

68043-53-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HS Code ]

2932190090
Spectrum DetailBack Directory
[Spectrum Detail]

6-Nitrochroman-4-one(68043-53-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

3-(4-NITROPHENYL)PROPANOIC ACID

10572-16-4

6-Nitrochroman-4-one

68043-53-8

The general procedure for the synthesis of 6-nitro-3,4-dihydrochromanone from 3-(4-nitrophenoxy)propionic acid is as follows: 3-(4-nitrophenoxy)propionic acid (6.5 g, 30 mmol), concentrated sulfuric acid (30 mL), and phosphorus pentoxide (5.2 g, 37 mmol) were mixed, and the reaction was stirred for 3 hours at 60 °C. After the reaction was completed, the mixture was poured into ice and stirring was continued for 15 minutes. Subsequently, extraction was carried out with ethyl acetate and the organic phase was washed with saturated aqueous sodium bicarbonate and dried over anhydrous magnesium sulfate. Finally, the organic phase was concentrated in vacuum to afford 6-nitro-3,4-dihydrochromanone as a beige solid (5.5 g, 94% yield) with a melting point of 171-173 °C. The structure of the product was confirmed by NMR and mass spectrometry.

[References]

[1] Patent: WO2005/37830, 2005, A1. Location in patent: Page/Page column 18
[2] Patent: EP2487171, 2012, A1. Location in patent: Page/Page column 9
[3] Patent: WO2014/418, 2014, A1. Location in patent: Page/Page column 97
[4] Patent: US2015/197511, 2015, A1. Location in patent: Paragraph 0450; 0451
[5] Patent: CN108440404, 2018, A. Location in patent: Paragraph 0075; 0079; 0080; 0081
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