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60549-26-0

60549-26-0 Structure

60549-26-0 Structure
IdentificationBack Directory
[Name]

3-Hydroxy-5-Methylbenzaldehyde
[CAS]

60549-26-0
[Synonyms]

3-Hydroxy-5-Methylbenzaldehyde
Benzaldehyde, 3-hydroxy-5-methyl-
[Molecular Formula]

C8H8O2
[MOL File]

60549-26-0.mol
[Molecular Weight]

136.15
Chemical PropertiesBack Directory
[Melting point ]

107-108 °C(Solv: chloroform (67-66-3))
[Boiling point ]

259.2±20.0 °C(Predicted)
[density ]

1.175±0.06 g/cm3(Predicted)
[storage temp. ]

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

9.35±0.10(Predicted)
[Appearance]

Off-white to light brown Solid
Safety DataBack Directory
[HS Code ]

2912490090
Spectrum DetailBack Directory
[Spectrum Detail]

3-Hydroxy-5-Methylbenzaldehyde(60549-26-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

2-chloro-5-methylcyclohex-1-enecarbaldehyde

90003-09-1

3-Hydroxy-5-Methylbenzaldehyde

60549-26-0

Cyclohexene 1a (0.2 g, 1.26 mmol) was used as raw material and mixed with K2CO3 (0.34 g, 2.53 mmol) in DMF (7 mL) in a two-necked round bottom flask. The reaction mixture was continuously bubbled with air at 80 °C for 20 hours. Upon completion of the reaction, purification was carried out by fast column chromatography (silica gel, petroleum ether/ethyl acetate = 7:3) to afford 3-hydroxy-5-methylbenzaldehyde 2a as a brown solid (melting point 78-80 °C, 0.15 g, 89% yield). Thin layer chromatography (TLC) showed an Rf value of 0.5 (30% ethyl acetate/petroleum ether).1H NMR (200 MHz, CDCl3) data: δ 2.39 (s, 3H), 6.22 (brs, 1H), 6.91-7.00 (m, 1H), 7.15-7.20 (m, 1H), 7.21-7.25 (m, 1H). 9.89 (s, 1H).13C NMR (50MHz, CDCl3+CCl4+DMSO) data: δ20.7,112.3,121.6,122.2,137.2,139.5,157.6,191.8.GC-MS (EI) analysis showed the molecular ion peaks at m/z=136 (M+).

[References]

[1] Patent: WO2015/15511, 2015, A1. Location in patent: Page/Page column 10
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