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70627-52-0

70627-52-0 Structure

70627-52-0 Structure
IdentificationBack Directory
[Name]

N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline
[CAS]

70627-52-0
[Synonyms]

ETMB-02
Ezetimibe Impurity 80
4-Benzyloxybenzylidene-(4-f...
EZETIMIBE 163222-33-1 INTERMEDIATES
4-(4-Benzyloxybenzylidene)Fluoroaniline
4-BENZYLOXYBENZYLIDENE-(4-FLUORO)ANILINE
4, 4-Benzyloxybenzylidene P- Fluoroaniline
N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline
4'-(Benzyloxy)benzylidene-4-fluoroaniline >
N-(4-(benzyloxy)benzylidene)-4-fluorobenzenamine
N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline70627-52-0
N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamine
BenzenaMine,4-fluoro-N-[[4-(phenylMethoxy)phenyl]Methylene]-
N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline ISO 9001:2015 REACH
N-fluoro-4-[(4-phenylmethoxyphenyl)methylidene]-1-cyclohexa-1,5-dienamine
[EINECS(EC#)]

615-134-0
[Molecular Formula]

C20H16FNO
[MDL Number]

MFCD00017951
[MOL File]

70627-52-0.mol
[Molecular Weight]

305.35
Chemical PropertiesBack Directory
[Melting point ]

136-138 ºC
[Boiling point ]

455.2±35.0 °C(Predicted)
[density ]

1.07
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Acetonitrile (Slightly), Chlorofrom (Slightly), Methanol (Slightly, Sonicated)
[form ]

Solid
[pka]

3.71±0.50(Predicted)
[color ]

Very Dark Orange
[InChI]

InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2
[InChIKey]

IWNBEFDVKWCBFY-UHFFFAOYSA-N
[SMILES]

C1(N=CC2=CC=C(OCC3=CC=CC=C3)C=C2)=CC=C(F)C=C1
[CAS DataBase Reference]

70627-52-0
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2925.29.9000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Ethyl acetate-->N,N-Dimethylformamide-->Potassium carbonate-->Sodium sulfate-->Potassium iodide-->Benzyl bromide-->PETROLEUM ETHER-->4-Hydroxybenzaldehyde-->4-Fluoroaniline-->4-Benzyloxybenzaldehyde-->4-[[(4-Fluorophenyl)imino]methyl]-phenol-->Benzyl chloride
[Preparation Products]

EZM-K
Hazard InformationBack Directory
[Uses]

4-Benzyloxybenzylidene 4-Fluoroaniline is an intermediate in the synthesis of Linezolid (L466500).
[Synthesis]

4-Benzyloxybenzaldehyde

4397-53-9

4-Fluoroaniline

371-40-4

N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline

70627-52-0

General procedure for the synthesis of 4-benzylbenzylidene-(4-fluoro)aniline from 4-benzyloxybenzaldehyde and 4-fluorobenzenamine: 4-fluorobenzylidene-(4-fluoro)aniline (100 g, 1.1 eq.) was mixed with isopropanol (1730 ml, 10 V) and heated under mechanical stirring up to 40 °C, whereby a large amount of light yellow crystalline solid was gradually precipitated. Stirring was continued and the reaction was monitored until completion. The heating was stopped and the reaction was cooled naturally to room temperature with stirring. Extraction and filtration operations were carried out, and the filter cake was washed with cold isopropanol and dried to give the light yellow crystalline product SM 2 with a mass of 238 g, 95% yield and 99% purity.

[References]

[1] Patent: JP2016/147843, 2016, A. Location in patent: Paragraph 0016
[2] Patent: CN107793339, 2018, A. Location in patent: Paragraph 0021; 0023; 0031; 0038
[3] Pharmacy and Pharmacology Communications, 2000, vol. 6, # 1, p. 25 - 29
[4] Journal of Organic Chemistry, 2018,
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