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55745-97-6

55745-97-6 Structure

55745-97-6 Structure
IdentificationBack Directory
[Name]

CHROMAN-6-CARBALDEHYDE
[CAS]

55745-97-6
[Synonyms]

CHROMAN-6-CARBALDEHYDE
6-Chromanecarbaldehyde
Chroman-6-carboxaldehyde
3,4-Dihydro-2H-chromene-6-carboxaldehyde
3,4-dihydro-2H-1-benzopyran-6-carbaldehyde
2H-1-Benzopyran-6-carboxaldehyde, 3,4-dihydro-
[Molecular Formula]

C10H10O2
[MDL Number]

MFCD08146589
[MOL File]

55745-97-6.mol
[Molecular Weight]

162.19
Chemical PropertiesBack Directory
[Boiling point ]

160-163 °C(Press: 20 Torr)
[density ]

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

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

liquid
[color ]

Yellow to orange
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[Risk Statements ]

52
[HazardClass ]

IRRITANT
[HS Code ]

2932209090
Hazard InformationBack Directory
[Synthesis]

3,4-Dihydro-(1H)-benzopyrane

493-08-3

N,N-Dimethylformamide

68-12-2

CHROMAN-6-CARBALDEHYDE

55745-97-6

To a mixed solution of 3,4-dihydro-1H-benzopyran (3 g, 22.4 mmol, 1.0 eq.) and N,N-dimethylformamide (3.3 g, 45.2 mmol, 2 eq.) in 1,2-dichloroethane (20 mL) was added phosphorus trichloride (3.4 g, 45.2 mmol, 2 eq.) dropwise, slowly at 50 °C or below, with dropwise addition time controlled at 30 minutes. The reaction mixture was then stirred continuously at 85 °C for 12 hours. Upon completion of the reaction, the reaction was quenched with ice water and extracted with ethyl acetate (3 x 300 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (petroleum ether: ethyl acetate = 8:1) to afford the yellow oily product benzodihydropyran-6-carbaldehyde (2.0 g, 12.3 mmol, 55.1% yield). The structure of the product was confirmed by 1H NMR (CDCl3, 400 MHz) and electrospray ionization mass spectrometry (ESIMS): 1H NMR δ 2.01 (q, J = 45.8 Hz, 2H), 2.82 (t, J = 6.4 Hz, 2H), 4.24 (t, J = 5.2 Hz, 2H), 6.85 (d, J = 8.4 Hz, 1H), 7.52- 7.64 (m, 2H), 9.79 (s, 1H); ESIMS m/z 163.1 ([M + H]+).

[References]

[1] Patent: US2014/243349, 2014, A1. Location in patent: Paragraph 1738; 1740
[2] Journal of the Indian Chemical Society, 1959, vol. 36, p. 76,80
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