ChemicalBook--->CAS DataBase List--->60758-86-3

60758-86-3

60758-86-3 Structure

60758-86-3 Structure
IdentificationBack Directory
[Name]

Benzonitrile, 3-ethoxy-4-Methoxy-
[CAS]

60758-86-3
[Synonyms]

Apremilast Impurity 78
3-Ethoxy-4-methoxybenzonitril
3-ethoxy-4-Methoxybenzonitrile
3-Ethoxy-4-Methoxy benzontrile
3-Ethoxy-4-methoxy bezonitrile
Benzonitrile, 3-ethoxy-4-Methoxy-
3-Ethoxy-4-methoxybenzonitrile >
3-Ethoxy-4-methoxybenzonitrile Apremilast
Apremilast Impurity 2:3-Ethoxy-4-methoxybenzonitrile
[Molecular Formula]

C10H11NO2
[MDL Number]

MFCD02256160
[MOL File]

60758-86-3.mol
[Molecular Weight]

177.2
Chemical PropertiesBack Directory
[Melting point ]

70℃
[Boiling point ]

281.9±25.0℃ (760 Torr)
[density ]

1.09±0.1 g/cm3 (20 ºC 760 Torr)
[Fp ]

109.2±16.4℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Light yellow
[InChI]

InChI=1S/C10H11NO2/c1-3-13-10-6-8(7-11)4-5-9(10)12-2/h4-6H,3H2,1-2H3
[InChIKey]

XTIINWPNAMHVDG-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(OC)C(OCC)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Exclamation Mark (GHS07)
GHS06,GHS07
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H315-H319
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
[RIDADR ]

3439
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

White to Light yellow powder to crystal
[Uses]

3-Ethoxy-4-methoxy benzonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.
[Synthesis]

Synthesis_60758-86-3
In a 100 ml flask in the, adding 3-hydroxy-4-methoxy phenyl nitrile 10g (67.11mmol), bromoethane 25 ml (335.2mmol), potassium carbonate 10.25g, dimethyl formamide 50 ml, heating and stirring to 100 ??C. TLC monitoring reaction, reaction 8h, stop heating. Natural cooling to room temperature, water 100 ml, the ethyl acetate extraction, the organic phase is dried with anhydrous sodium sulfate, ethyl acetate solvent turns on lathe does the white solid obtained 11.09g.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Ethoxy-4-methoxy benzonitrile(60758-86-3)1HNMR
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