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| | 3,4-Difluorobenzaldehyde Basic information |
| Product Name: | 3,4-Difluorobenzaldehyde | | Synonyms: | 3,4-DIFLUOROBENZALDEHYDE;3,4-Difluorobenzaldehyde,98%;3,4-Difluorobenzaldehyde 98%;3,4-Difluorbenzaldehyd;3,4-Difluorobenzalde;1,3-DiFluorobenzenebenzaldehyde;3,4-fluorobenzaldehyde;3,4-Difluorobenzaldehyde, 96% 25GR | | CAS: | 34036-07-2 | | MF: | C7H4F2O | | MW: | 142.1 | | EINECS: | 422-180-3 | | Product Categories: | Benzaldehyde series;Aromatic Aldehydes & Derivatives (substituted);Benzaldehyde;Miscellaneous;Aromatics;Aldehydes;C7;Carbonyl Compounds;Fluoro-Aromatics;Fluorin-contained benzaldehyde series;bc0001 | | Mol File: | 34036-07-2.mol |  |
| | 3,4-Difluorobenzaldehyde Chemical Properties |
| Boiling point | 53-55°C (15 mmHg) | | density | 1.288 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.5(lit.) | | Fp | 150 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | 3.962g/l | | form | Liquid | | Specific Gravity | 1.288 | | color | Clear colorless to yellow | | Sensitive | Air Sensitive | | BRN | 2241231 | | InChI | InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H | | InChIKey | JPHKMYXKNKLNDF-UHFFFAOYSA-N | | SMILES | C(=O)C1=CC=C(F)C(F)=C1 | | CAS DataBase Reference | 34036-07-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39-36/37 | | WGK Germany | 2 | | F | 10-21 | | HazardClass | IRRITANT | | HS Code | 29124990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1 |
| | 3,4-Difluorobenzaldehyde Usage And Synthesis |
| Chemical Properties | Light Yellow Clear Liquid | | Uses | 3,4-Difluorobenzaldehyde is used in the synthesis of fluorine-substituted analogs of Curcumin (C838500), as chemopreventive and/or therapeutic agents against cancers and/or against the development of
drug-resistant cancer. | | Uses | 3,4-Difluorobenzaldehyde was used in the synthesis of 3-benzylidene 20,29-dihydrobetulinic acid derivatives. | | Uses | Metabolic | | Synthesis | General procedure: a 5L four-necked flask is equipped with a mechanical stirring device and protected by nitrogen gas. Magnesium strips and 400 g of iodine granules were added sequentially in tetrahydrofuran. 41.7g of 2-chloropropane was slowly added at room temperature, and the addition time was controlled within 10 minutes, and then the reaction was warmed up to 40℃. The reaction was cooled to room temperature upon completion. A tetrahydrofuran solution of 3,4-difluorobromobenzene (654 g of 3,4-difluorobromobenzene dissolved in 700 g of tetrahydrofuran) was added dropwise at 0 to 10 °C, with the dropwise addition time controlled within 50 min. After the dropwise addition, the reaction mixture was kept at room temperature. After completion of the reaction it was again cooled to 0-10°C and a tetrahydrofuran solution of N,N-dimethylformamide (DMF) was added dropwise (291.3 g of DMF dissolved in 300 g of tetrahydrofuran) over a period of 40 min, keeping the temperature below 10°C. Subsequently 700 g of water was added dropwise and the pH was adjusted to about 4 with concentrated hydrochloric acid (about 840 g of hydrochloric acid was required). Phase separation was carried out and the aqueous phase was extracted twice with 500 g of toluene to combine the organic layers. The organic layer was sequentially washed once with 500 g of saturated saline and once more with 500 g of water. Finally, the crude product was concentrated under vacuum at 65 °C to no solvent. The crude product was purified by vacuum distillation to obtain 3,4-difluorobenzaldehyde with a purity greater than 99.5% and a yield of 86%. | | References | [1] Patent: CN105859536, 2016, A. Location in patent: Paragraph 0016; 0017 |
| | 3,4-Difluorobenzaldehyde Preparation Products And Raw materials |
| Raw materials | 2-Chloropropane-->3,4-Difluorotoluene-->4-Bromo-1,2-difluorobenzene-->N,N-Dimethylformamide-->Magnesium-->iodine-->Tetrahydrofuran | | Preparation Products | trans-3,4-Difluorocinnamic acid-->3,4-DIFLUOROHYDROCINNAMIC ACID-->(1R,2R)-2-(3,4-difluorophenyl)cyclopropanecarboxylic acid-->METHYL 3,4-DIFLUOROBENZOATE-->3-Fluoro-4-(methylthio)benzaldehyde-->2-amino-1-(3,4-difluorophenyl)ethanol-->1-(3-BroMopropyl)-3,4-difluorobenzene-->3-(4-fluorophenoxy)benzoic acid |
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