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66742-57-2

66742-57-2 Structure

66742-57-2 Structure
IdentificationBack Directory
[Name]

4-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE
[CAS]

66742-57-2
[Synonyms]

Safinamide Intermediate 1
Safinamide mesylate Intermediate
Safinamide mesylate Intermediate 1
4-(3-Fluorobenzyloxy)benzaldehyde >
4-[(3-fluorophenyl)methoxy]-Benzaldehyde
Benzaldehyde, 4-[(3 -fluorophenyl)Methoxy]-
4-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE Intermediate 1
4-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE ISO 9001:2015 REACH
4-(3-Fluoro-benzyloxy)benzaldehyde, 4-(3-Fluoro- benzyloxy)benzaldehyde
[EINECS(EC#)]

613-982-6
[Molecular Formula]

C14H11FO2
[MDL Number]

MFCD02605317
[MOL File]

66742-57-2.mol
[Molecular Weight]

230.23
Chemical PropertiesBack Directory
[Melting point ]

46.0 to 50.0 °C
[Boiling point ]

265°C/3mmHg(lit.)
[density ]

1.211±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Methanol
[form ]

Solid:crystalline
[color ]

White to Almost white
[InChI]

InChI=1S/C14H11FO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
[InChIKey]

DNKSIIHRKWTIRH-UHFFFAOYSA-N
[SMILES]

C(=O)C1=CC=C(OCC2=CC=CC(F)=C2)C=C1
[CAS DataBase Reference]

66742-57-2
Safety DataBack Directory
[HS Code ]

2913.00.4000
[HazardClass ]

IRRITANT
Hazard InformationBack Directory
[Uses]

4-(3-Fluorobenzyloxy)benzaldehyde is useful for organic reactions and synthesis.
[Synthesis]

4-(3-fluoro-benzyloxy)-benzaldehyde is synthesized by the reaction of 4-Hydroxybenzaldehyde with 3-fluorobenzyl bromide. 4-Hydroxybenzaldehyde, 3-fluorobenzyl bromide, potassium carbonate, and acetone were sequentially added to a single-neck round bottom flask. Reaction at 60 ° C for 5 h. Cool to room temperature, filter, and collect the filtrate.Purification by direct column chromatography. 4-(3-fluoro-benzyloxy)-benzaldehyde was obtained as a white solid (1.78 g, 94.4%).
4-(3-fluoro-benzyloxy)-benzaldehyde
[References]

[1] Patent: WO2009/74478, 2009, A1. Location in patent: Page/Page column 80-81
[2] Patent: WO2009/74478, 2009, A1. Location in patent: Page/Page column 81
[3] Patent: WO2007/147491, 2007, A1. Location in patent: Page/Page column 44-45
[4] Patent: WO2009/74478, 2009, A1. Location in patent: Page/Page column 57-58
[5] Patent: CN106220525, 2016, A. Location in patent: Paragraph 0013; 0014; 0019
Spectrum DetailBack Directory
[Spectrum Detail]

4-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE(66742-57-2)1HNMR
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