3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE
- Product Name
- 3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE
- CAS No.
- 127842-54-0
- Chemical Name
- 3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE
- Synonyms
- Roflumilast Impurity K;3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE;Benzaldehyde, 3,4-bis(difluoroMethoxy)-
- CBNumber
- CB8842044
- Molecular Formula
- C9H6F4O3
- Formula Weight
- 238.14
- MOL File
- 127842-54-0.mol
3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE Property
- Boiling point:
- 265.8±35.0℃ (760 Torr)
- Density
- 1.387±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point:
- 111.1±20.8℃
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Light Yellow
Safety
- HS Code
- 2912490090
N-Bromosuccinimide Price
- Product number
- B426290
- Product name
- 3,4-Bis(difluoromethoxy)benzaldehyde
- Packaging
- 10g
- Price
- $950
- Updated
- 2021/12/16
- Product number
- X2702
- Product name
- 3,4-Bis(difluoromethoxy)benzaldehyde
- Packaging
- 1g
- Price
- $21
- Updated
- 2021/12/16
- Product number
- J98037
- Product name
- 3,4-Bis(difluoromethoxy)benzaldehyde
- Packaging
- 5g
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 54578
- Product name
- 3,4-Bis(difluoromethoxy)benzaldehyde
- Packaging
- 1g
- Price
- $620
- Updated
- 2021/12/16
- Product number
- CD12156062
- Product name
- 3,4-Bis(difluoromethoxy)benzaldehyde
- Purity
- 98%
- Packaging
- 25g
- Price
- $161
- Updated
- 2021/12/16
3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE Chemical Properties,Usage,Production
Chemical Properties
Yellow Oil
Uses
3,4-Bis(difluoromethoxy)benzaldehyde is an impurity of the antiasthmatic drug Roflumilast (R639700). 3,4-Bis(difluoromethoxy)benzaldehyde is used in the preparation of diphenylethylene compounds as PDE4 (phosphodiesterase-4) inhibitors for treatment of cancer, CNS disorders, and inflammatory disorders.
Synthesis
1895-39-2
139-85-5
127842-54-0
General procedure for the synthesis of 3,4-bis(difluoromethoxy)benzaldehyde from sodium difluorochloroacetate and 3,4-dihydroxybenzaldehyde: Sodium difluorochloroacetate (88 g, 58 mmol) was added to a DMF (200 mL) containing 3,4-dihydroxybenzaldehyde (20 g, 14 mmol), potassium carbonate (80 g, 58 mmol) and water (10 mL, 58 mmol). mL) in a suspension. The suspension was heated to 80 °C, kept for 16 h, and then cooled to room temperature. The reaction mixture was diluted with water and the aqueous phase was extracted with EtOAc. The combined organic phases were washed sequentially with water and brine, dried and concentrated. The residue was partially purified by column chromatography using 5-10% EtOAc/petroleum ether as eluent to afford 3,4-bis(difluoromethoxy)benzaldehyde (22.5 g, 65%) as a colorless oil. Its NMR hydrogen spectrum (400 MHz, CDCl3) data were: δH 6.60 (t, J = 72 Hz, 1H, OCHF2), 6.64 (t, J = 72 Hz, 1H, OCHF2), 7.42 (d, J = 8.0 Hz, 1H, H5), 7.76-7.78 (m, 2H, H2, H6), 9.96 (s, 1H CHO); NMR carbon spectrum (125 MHz, CDCl3) data were: δC 115.2 (t, J = 259 Hz), 115.4 (t, J = 259 Hz), 121.5, 122.2, 128.5, 134.2, 142.4, 147.0, 189.7; and infrared spectroscopy (cm-1) data were 794, 1038 1381, 1509, 1698. 3,4-bis(difluoromethoxy)benzaldehyde co-eluted with about 10-20% of unidentified colorless oil had NMR hydrogen spectral (400 MHz, CDCl3) data of δH 7.13 (s, 1H), 7.19 (d, J = 8.0 Hz, 1H), 7.30 (s, 1H), 7.59 (d, J = 1.5 Hz, 1H), 7.61 (dd, J = 1.5 Hz, 8.0 Hz, 1H), 9.91 (s, 1H).
References
[1] Patent: WO2006/76246, 2006, A2. Location in patent: Page/Page column 220
[2] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 24, p. 6868 - 6873
[3] Patent: WO2009/20642, 2009, A1. Location in patent: Page/Page column 69
[4] Patent: US2010/35931, 2010, A1. Location in patent: Page/Page column 17
3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE manufacturers
- Product
- 3,4-BIS-DIFLUOROMETHOXY-BENZALDEHYDE 127842-54-0
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 97%
- Supply Ability
- 100kg
- Release date
- 2020-02-01