| Identification | More | [Name]
2-FLUORO-6-(TRIFLUOROMETHYL)BENZALDEHYDE | [CAS]
60611-24-7 | [Synonyms]
2-FLUORO-6-(TRIFLUOROMETHYL)BENZALDEHYDE
OTF-BAD-6F
alpha,alpha,alpha,6-Tetrafluoro-o-tolualdehyde
à,à,à,6-tetrafluoro-o-tolualdehyde
2-Fluoro-6-(trifluoromethyl)benzaldehyde 97%
2-Fluoro-6-(trifluoromethyl)benzaldehyde97% | [EINECS(EC#)]
625-623-0 | [Molecular Formula]
C8H4F4O | [MDL Number]
MFCD00061273 | [Molecular Weight]
192.11 | [MOL File]
60611-24-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
155-157°C | [Boiling point ]
156 °C (lit.) | [density ]
1.432 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.458(lit.)
| [Fp ]
179 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Almost colorless | [Sensitive ]
Air Sensitive | [BRN ]
2263481 | [InChI]
InChI=1S/C8H4F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-4H | [InChIKey]
FAKUGVHRTLCKHB-UHFFFAOYSA-N | [SMILES]
C(=O)C1=C(C(F)(F)F)C=CC=C1F | [CAS DataBase Reference]
60611-24-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29130000 |
| Hazard Information | Back Directory | [Uses]
2-Fluoro-6-(trifluoromethyl)benzaldehyde may be employed for the synthesis of diaryl ether, 2-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)- benzonitrile and substituted benzo[b]thiophene-2-carboxylates. | [General Description]
2-Fluoro-6-(trifluoromethyl)benzaldehyde participates in the synthesis of 2-amino-5-trifluoromethylquinazoline. | [Synthesis]
In a 5L three-necked round-bottomed flask, 3-fluorobenzotrifluoride (492.0 g, 3.0 mol), N,N,N',N'-tetramethylethylenediamine (TMEDA, 383.2 g, 3.3 mol), diisopropylamine (DIPA, 21.3 g, 0.16 mol), and anhydrous tetrahydrofuran (THF, 1.5 L) were added and the reaction system was cooled to -70 to - 78 °C. A solution of n-butyllithium (n-BuLi, 211.5 g, 3.3 mol) was slowly added dropwise at -70 to -78 °C. The reaction was maintained at this temperature for 2 to 3 hours. Subsequently, N,N-dimethylformamide (DMF, 328.7 g, 4.5 mol) was slowly added and the reaction was continued at this temperature for 1-2 hours. After completion of the reaction, it was slowly warmed up to room temperature, the reaction was quenched with saturated ammonium chloride (NH4Cl) solution (500 ml) and extracted with ethyl acetate (500 ml x 3). The organic layers were combined and concentrated to dryness to give 510.1 g of the solid product 2-fluoro-6-trifluoromethylbenzaldehyde in 88.7% yield. | [References]
[1] Patent: CN107935863, 2018, A. Location in patent: Paragraph 0040-0043; 0053-0054; 0060-0061
[2] Tetrahedron Letters, 1992, vol. 33, # 49, p. 7499 - 7502
[3] Tetrahedron Letters, 2013, vol. 54, # 45, p. 6053 - 6056 |
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