| Identification | More | [Name]
4-FLUORO-3-METHOXYBENZALDEHYDE | [CAS]
128495-46-5 | [Synonyms]
3-METHOXY-4-FLUOROBENZALDEHYDE
4-FLUORO-3-METHOXYBENZALDEHYDE
4-FLUORO-M-ANISALDEHYDE
4-Fluoro-3-methoxybenzaldehyde 97%
4-Fluoro-3-methoxybenzaldehyde97% | [EINECS(EC#)]
603-276-6 | [Molecular Formula]
C8H7FO2 | [MDL Number]
MFCD00143320 | [Molecular Weight]
154.14 | [MOL File]
128495-46-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
58-62 °C(lit.)
| [Boiling point ]
93 °C(Press: 4.5 Torr) | [density ]
1.192±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [color ]
White to Light yellow | [Sensitive ]
Air Sensitive | [BRN ]
5178063 | [InChI]
InChI=1S/C8H7FO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 | [InChIKey]
NALVGTOMKSKFFV-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(F)C(OC)=C1 | [CAS DataBase Reference]
128495-46-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
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 ]
2
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29124990 |
| Hazard Information | Back Directory | [Chemical Properties]
White to yellow to tan powder or crystal or crystalline powder | [Uses]
| [Synthesis Reference(s)]
Journal of Medicinal Chemistry, 33, p. 2408, 1990 DOI: 10.1021/jm00171a014 | [Synthesis]
General procedure for the synthesis of 3-methoxy-4-fluorobenzaldehyde from 3-methoxy-4-fluorobenzyl alcohol: (4-fluoro-3-methoxyphenyl)methanol (5.00 g, 0.03 mol) was mixed with manganese dioxide (33.4 g, 0.38 mol) in dichloromethane (100 mL) under nitrogen protection, and the reaction was stirred for 16 hr under mild reflux conditions. Upon completion of the reaction, the reaction mixture was cooled to room temperature, filtered through Arbacel, and the filtrate was concentrated in vacuum to afford 3-methoxy-4-fluorobenzaldehyde (4.18 g, 0.027 mol, 85% yield) as a white solid. The product was characterized by 1H NMR (CDCl3, 400 MHz): δ 3.96 (s, 3H), 7.23 (d, 1H), 7.43 (m, 1H), 7.50 (d, 1H), 9.91 (s, 1H). The melting point is 61-63°C. Elemental analysis results: measured value C, 62.18; H, 4.54%. Theoretical value (C8H7FO2): C, 62.34; H, 4.58%. | [References]
[1] Journal of Medicinal Chemistry, 1990, vol. 33, # 9, p. 2408 - 2412
[2] Patent: WO2004/52372, 2004, A1. Location in patent: Page 72
[3] Patent: WO2008/87512, 2008, A1. Location in patent: Page/Page column 43
[4] Patent: EP2862571, 2015, A1. Location in patent: Paragraph 0164; 0165
[5] Patent: US2015/166559, 2015, A1. Location in patent: Paragraph 0220; 0221 |
|
|