4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE
- Product Name
- 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE
- CAS No.
- 736990-88-8
- Chemical Name
- 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE
- Synonyms
- 4-carboxy-2,6-difluobenzaldehyde;3,5-Difluoro-4-formylbenzoic acid;4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE;Benzoic acid, 3,5-difluoro-4-formyl-
- CBNumber
- CB81091393
- Molecular Formula
- C8H4F2O3
- Formula Weight
- 186.11
- MOL File
- Mol file
4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE Property
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C8H4F2O3/c9-6-1-4(8(12)13)2-7(10)5(6)3-11/h1-3H,(H,12,13)
- InChIKey
- FRAXEZGWRAVEIK-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(F)=C(C=O)C(F)=C1
Safety
- HS Code
- 2916399090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P321Specific treatment (see … on this label).
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- PC201295
- Product name
- 3,5-Difluoro-4-formylbenzoicacid
- Purity
- 97%
- Packaging
- 250mg
- Price
- $83
- Updated
- 2021/12/16
- Product number
- PC201295
- Product name
- 3,5-Difluoro-4-formylbenzoicacid
- Purity
- 97%
- Packaging
- 1g
- Price
- $206
- Updated
- 2021/12/16
- Product number
- HCH0358182
- Product name
- 3,5-DIFLUORO-4-FORMYLBENZOIC ACID
- Purity
- 95.00%
- Packaging
- 5MG
- Price
- $498.01
- Updated
- 2021/12/16
- Product number
- PC201295
- Product name
- 3,5-Difluoro-4-formylbenzoicacid
- Purity
- 97%
- Packaging
- 5g
- Price
- $615
- Updated
- 2021/12/16
- Product number
- 6105DF
- Product name
- 3,5-Difluoro-4-formylbenzoicacid
- Packaging
- 10g
- Price
- $1187
- Updated
- 2021/12/16
4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE Chemical Properties,Usage,Production
Uses
3,5-Difluoro-4-formylbenzoic Acid is used for synthesis of halogenated analogs of bexarotene as retinoid X receptor-specific agonists.
Synthesis
107-31-3
455-40-3
736990-88-8
Example 1. Preparation of 3,5-difluoro-4-formylbenzoic acid. To a solution of 3,5-difluorobenzoic acid (291 g, 1.84 mol) in 2-methyltetrahydrofuran (4.35 L) was added N,N,N',N'-tetramethylethylenediamine (TMEDA) (604 mL, 4.03 mol) at room temperature. The resulting solution was cooled to -78 °C. Subsequently, n-butyllithium (n-BuLi) (2.5 M hexane solution) (1.77 L, 4.43 mol) was added slowly and dropwise, ensuring that the temperature of the mixture was maintained below -65 °C during the process. After dropwise addition, the reaction mixture was continued to be stirred at -78 °C for 1.5 hours. Next, anhydrous methyl formate (MeOCHO) (239 mL, 3.88 mol) was added dropwise at a rate that kept the temperature below -65 °C. The reaction solution was gradually warmed to room temperature and stirred continuously at this temperature for 18 hours. Upon completion of the reaction, the mixture was cooled to 0-5 °C and the excess base was quenched with 6 M aqueous hydrochloric acid (2.2 L, 13.2 mol). The organic and aqueous phases were separated and the aqueous phase was extracted three times with 2-methyltetrahydrofuran (3 x 500 mL). The organic phases were combined, washed with saturated brine, dried over anhydrous magnesium sulfate (MgSO4), filtered and concentrated under reduced pressure. The residue was dissolved in ethyl acetate (350 mL), heated to reflux to dissolve and cooled to room temperature. Ethane (480 mL) was added and the mixture was further cooled to -15 °C. The precipitated solid was collected by filtration, washed with hexane and dried under vacuum to afford the target product 3,5-difluoro-4-formylbenzoic acid (122 g, 35% yield) as a white solid. The product was characterized by 1H NMR (300 MHz, DMSO-d6): δ 7.63-7.70 (m, 2H), 10.23 (s, 1H); mass spectrum (ESI) m/z: 187.17 [M+H]+.
References
[1] Patent: WO2013/149996, 2013, A1. Location in patent: Page/Page column 56; 57
[2] Patent: WO2013/149997, 2013, A1. Location in patent: Page/Page column 97; 98
[3] Patent: WO2011/62550, 2011, A1. Location in patent: Page/Page column 24
[4] Patent: WO2012/158117, 2012, A1. Location in patent: Page/Page column 16-17
[5] Patent: WO2014/117274, 2014, A1. Location in patent: Paragraph 203
4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE manufacturers
- Product
- 4-CARBOXY-2,6-DIFLUOROBENZALDEHYDE 736990-88-8
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- KG/T
- Release date
- 2019-12-17