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105003-90-5

105003-90-5 Structure

105003-90-5 Structure
IdentificationBack Directory
[Name]

(4-METHOXY-2-NITROPHENYL)ACETONITRILE
[CAS]

105003-90-5
[Synonyms]

4-METHOXY-2-NITRO-CYANOMETHYLBENZENE
(4-METHOXY-2-NITROPHENYL)ACETONITRILE
2-(4-Methoxy-2-nitrophenyl)acetonitrile
Benzeneacetonitrile, 4-methoxy-2-nitro-
[Molecular Formula]

C9H8N2O3
[MDL Number]

MFCD07780792
[MOL File]

105003-90-5.mol
[Molecular Weight]

192.17
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,Room Temperature
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P280
Hazard InformationBack Directory
[Synthesis]

Benzeneacetic acid, α-cyano-4-methoxy-2-nitro-, ethyl ester

65547-98-0

(4-METHOXY-2-NITROPHENYL)ACETONITRILE

105003-90-5

General procedure for the synthesis of (4-methoxy-2-nitrophenyl)acetonitrile from the compound (CAS: 65547-98-0): an aqueous solution of compound S2 (4.5 g, 17.05 mmol) was mixed with Na2CO3 (30 mL, 1N) and stirred for 40 h at room temperature. After completion of the reaction, the mixture was extracted with EtOAc (50 mL). The organic layer was sequentially washed with brine, dried over Na2SO4, filtered and concentrated to dryness. The residue was purified by silica gel column chromatography with EtOAc/petroleum ether (1:5) as eluent to give compound S3 (2.5 g, 76.2% yield) as a light yellow solid.

[References]

[1] Patent: WO2017/35411, 2017, A1. Location in patent: Paragraph 0647
[2] Patent: US2011/230461, 2011, A1. Location in patent: Page/Page column 32
[3] Patent: WO2005/26128, 2005, A1. Location in patent: Page/Page column 17-18
[4] Patent: WO2006/20003, 2006, A2. Location in patent: Page/Page column 18
[5] Patent: US2004/97575, 2004, A1. Location in patent: Page 11
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