ChemicalBook--->CAS DataBase List--->53005-44-0

53005-44-0

53005-44-0 Structure

53005-44-0 Structure
IdentificationBack Directory
[Name]

2-METHOXY-6-METHYLBENZONITRILE
[CAS]

53005-44-0
[Synonyms]

2-METHOXY-6-METHYLBENZONITRILE
2-Methoxy-6-methay benzonitrile
Benzonitrile, 2-methoxy-6-methyl-
[Molecular Formula]

C9H9NO
[MDL Number]

MFCD10699539
[MOL File]

53005-44-0.mol
[Molecular Weight]

147.17
Chemical PropertiesBack Directory
[Boiling point ]

70-74℃ (0.4 Torr)
[density ]

1.06±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Light yellow to light brown Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHOXY-6-METHYLBENZONITRILE(53005-44-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Benzaldehyde, 2-methoxy-6-methyl-, oxime

1030446-72-0

2-METHOXY-6-METHYLBENZONITRILE

53005-44-0

The general procedure for the synthesis of 2-methoxy-6-methylbenzonitrile, using the compound (CAS: 1030446-72-0) as starting material, was as follows: to a solution of intermediate 144 (7.50 g, 45.41 mmol) in dichloromethane (55 mL) was added N,N'-dicarbonyldiimidazole (8.09 g, 49.95 mmol), and the reaction was stirred for 15 h at room temperature. The reaction was stirred for 15 hours at room temperature. After completion of the reaction, the reaction mixture was quenched with water, the organic phase was extracted with dichloromethane, dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 2-methoxy-6-methylbenzonitrile as a brown solid (5.0 g, 75% yield). The product was characterized by nuclear magnetic resonance hydrogen spectroscopy (1H NMR, 400 MHz, CDCl3) with the following chemical shifts (δ ppm): 7.41 (t, J = 8.1 Hz, 1H), 6.87 (d, J = 7.7 Hz, 1H), 6.78 (d, J = 8.5 Hz, 1H), 3.91 (s, 3H), 2.50 (s, 3H).

[References]

[1] Patent: WO2012/151525, 2012, A1. Location in patent: Page/Page column 132
[2] Patent: US2012/289496, 2012, A1. Location in patent: Page/Page column 115
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