| Identification | More | [Name]
4-DIFLUOROMETHOXY-3-METHOXY-BENZALDEHYDE | [CAS]
162401-70-9 | [Synonyms]
AKOS B014002
AKOS BBS-00006582
TIMTEC-BB SBB009330
ART-CHEM-BB B014002
ASINEX-REAG BAS 11524503
4-DIFLUOROMETHOXY-3-METHOXY-BENZALDEHYDE
3-Methoxy-4-(difluoromethoxy)benzaldehyde
Benzaldehyde,4-(difluoroMethoxy)-3-Methoxy-
4-(DIFLUOROMETHOXY)-3-METHOXYBENZALDEHYDE, 98% MIN. | [Molecular Formula]
C9H8F2O3 | [MDL Number]
MFCD03412217 | [Molecular Weight]
202.15 | [MOL File]
162401-70-9.mol |
| Chemical Properties | Back Directory | [Boiling point ]
105-106°C 1mm | [density ]
1.260±0.06 g/cm3(Predicted) | [refractive index ]
1.5155 | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
liquid | [color ]
Clear, light orange | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3 | [InChIKey]
KGPOVKAYCXTCQS-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(OC(F)F)C(OC)=C1 | [CAS DataBase Reference]
162401-70-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319 | [Precautionary statements ]
P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313 | [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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HazardClass ]
IRRITANT | [HS Code ]
2913000090 |
| Hazard Information | Back Directory | [Synthesis]
1. DMF (450 mL), vanillin (30.0 g, 0.2 mol) and sodium hydroxide (13.0 g, 0.325 mol) were added to a reaction flask.
2. The reaction system was warmed to 90 °C with continuous stirring for 2 hours.
3. Monochlorodifluoromethane gas was introduced into the reaction system and the reaction progress was monitored by TLC until the vanillin was completely consumed.
4. Upon completion of the reaction, the heating was stopped and the reaction system was cooled to room temperature.
5. The reaction was quenched by addition of water (450 mL) and the reaction mixture was extracted with dichloromethane.
6. The organic phase was washed sequentially with saturated sodium carbonate solution and saturated brine, then dried over anhydrous sodium sulfate.
7. Concentrate the organic phase under pressure to obtain a light yellow oil 3-methoxy-4-(difluoromethoxy)benzaldehyde (31.9 g, 80% yield, 99.2% purity, HPLC chromatogram in Fig. 1), which can be used in subsequent steps without further purification. | [References]
[1] Chinese Chemical Letters, 2013, vol. 24, # 8, p. 727 - 730
[2] Patent: CN106883118, 2017, A. Location in patent: Paragraph 0038-0042 |
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