ChemicalBook--->CAS DataBase List--->101093-56-5

101093-56-5

101093-56-5 Structure

101093-56-5 Structure
IdentificationMore
[Name]

2-METHYL 4-BENZYLOXYBENZALDEHYDE
[CAS]

101093-56-5
[Synonyms]

4-Benzyloxy-o-tolualdehyde
2-METHYL 4-BENZYLOXYBENZALDEHYDE
4-BENZYLOXY-2-METHYL-BENZALDEHYDE
2-methyl-4-phenylmethoxybenzaldehyde
Benzaldehyde,2-Methyl-4-(phenylMethoxy)-
[Molecular Formula]

C15H14O2
[MDL Number]

MFCD01317809
[Molecular Weight]

226.27
[MOL File]

101093-56-5.mol
Chemical PropertiesBack Directory
[Melting point ]

58.0 to 62.0 °C
[Boiling point ]

234°C/19mmHg(lit.)
[density ]

1.119±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

1S/C15H14O2/c1-12-9-15(8-7-14(12)10-16)17-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
[InChIKey]

OGVPJBJWJCZBTH-UHFFFAOYSA-N
[SMILES]

Cc1cc(OCc2ccccc2)ccc1C=O
[CAS DataBase Reference]

101093-56-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2912.49.2600
[Storage Class]

13 - Non Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL 4-BENZYLOXYBENZALDEHYDE(101093-56-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Hydroxy-2-methylbenzaldehyde

41438-18-0

Benzyl bromide

100-39-0

2-METHYL 4-BENZYLOXYBENZALDEHYDE

101093-56-5

4-Hydroxy-2-methylbenzaldehyde (2.72 g, 19.98 mmol, 1.00 eq.) and benzyl bromide (3.8 g, 22.22 mmol, 1.11 eq.) were mixed with potassium carbonate (4.14 g, 29.95 mmol, 1.50 eq.) in acetonitrile (30 mL). The reaction mixture was stirred at room temperature for 3 hours. After completion of the reaction, water was added and extracted three times with ethyl acetate (EtOAc). The organic layers were combined, concentrated and purified by silica gel column chromatography (eluent ratio 10:1 petroleum ether/ethyl acetate) to afford 2-methyl-4-benzyloxybenzaldehyde (3.4 g, 75% yield) as a white solid.

[References]

[1] Patent: US2014/256657, 2014, A1. Location in patent: Paragraph 0297
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