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ChemicalBook--->CAS DataBase List--->4055-69-0

4055-69-0

4055-69-0 Structure

4055-69-0 Structure
IdentificationBack Directory
[Name]

2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE
[CAS]

4055-69-0
[Synonyms]

AKOS 235-08
Trimetazidine Impurity 15
4-Piperidinepropanol,8-hydroxy-
4-METHOXY-2,3-DIHYDROXYBENZALDEHYDE
2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE
Benzaldehyde, 2,3-dihydroxy-4-methoxy-
4-METHOXY-2,3-DIHYDROXYBENZALDEHYDE 95%
2 3-DIHYDROXY-4-METHOXYBENZALDEHYDE 95%
Phosphorousacid,tris(1,3-dimethylethyl)ester
[Molecular Formula]

C8H8O4
[MDL Number]

MFCD00016589
[MOL File]

4055-69-0.mol
[Molecular Weight]

168.15
Chemical PropertiesBack Directory
[Melting point ]

69.5 °C
[Boiling point ]

172-178 °C
[density ]

1.378±0.06 g/cm3(Predicted)
[storage temp. ]

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

Solid
[pka]

7.63±0.15(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36-43
[Safety Statements ]

26-36/37
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2,3,4-Trimethoxybenzaldehyde-->Boron trichloride-->Water-->Dichloromethane
[Preparation Products]

7,8-DIHYDROXY-6-METHOXYCOUMARIN
Hazard InformationBack Directory
[Uses]

DHMB (2,3-Dihydroxy-4-methoxybenzaldehyde) is a small organic molecule with anti-fungal and anti-inflammatory activity. DHMB has protective effect on intestinal epithelial cells[1].
[Synthesis Reference(s)]

Synthetic Communications, 16, p. 645, 1986 DOI: 10.1080/00397918608057734
[Synthesis]

2,3,4-Trimethoxybenzaldehyde

2103-57-3

3,4-DIMETHOXY-2-HYDROXYBENZALDEHYDE

19283-70-6

2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE

4055-69-0

General procedure for the synthesis of 2-hydroxy-3,4-dimethoxybenzaldehyde (29) and 2,3-dihydroxy-4-methoxybenzaldehyde (29') from 2,3,4-trimethoxybenzaldehyde: 2,3,4-trimethoxybenzaldehyde (5.00 g, 25.5 mmol) was dissolved in anhydrous dichloromethane (15 mL) at 0 °C and under nitrogen protection. Anhydrous boron trichloride (28.0 mL, 1.0 M solution in dichloromethane) was added slowly through a dropping funnel and the reaction mixture was stirred at this temperature for 5 hours. Upon completion of the reaction, the reaction was quenched with distilled water (10 mL), the organic phase was separated, and the aqueous phase was extracted with dichloromethane (2 x 25 mL). The organic phases were combined, washed with saturated saline, dried over anhydrous sodium sulfate, filtered and concentrated to dryness under reduced pressure. 2-Hydroxy-3,4-dimethoxybenzaldehyde (29) (3.75 g, 20.6 mmol, 81% yield) was obtained as a white powder, as well as 2,3-dihydroxy-4-methoxybenzaldehyde (29') (0.20 g, 1.2 mmol, 5% yield) as an off-white powder.1H NMR (500 MHz, CDCl3) δ 11.2 (1H, s 2-OH), 9.75 (1H, s, 1-CHO), 7.29 (1H, d, J=9.0Hz, 6-H), 6.61 (1H, d, J=9.0Hz, 5-H), 3.95 (3H, s, 4-OCH3), 3.91 (3H, s, 3-OCH3).13C NMR (126MHz, CDCl3) δ 194.9 (1-CHO), 159.4 (C-4), 155.7 (C-2), 136.2 (C-3), 130.2 (6-CH), 116.6 (C-1), 104.0 (5-CH), 60.8 (3-OCH3), 56.3 (4-OCH3).

[References]

[1] Bortolus C, et al. A Small Aromatic Compound Has Antifungal Properties and Potential Anti-Inflammatory Effects against Intestinal Inflammation. Int J Mol Sci. 2019 Jan 14;20(2):321. DOI:10.3390/ijms20020321
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIHYDROXY-4-METHOXYBENZALDEHYDE(4055-69-0)1HNMR
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