ChemicalBook--->CAS DataBase List--->7048-38-6

7048-38-6

7048-38-6 Structure

7048-38-6 Structure
IdentificationBack Directory
[Name]

(5-CHLORO-2-METHOXYPHENYL)ACETONITRILE
[CAS]

7048-38-6
[Synonyms]

2-(5-chloro-2-Methoxyphenyl)acetonitrile
Benzeneacetonitrile, 5-chloro-2-methoxy-
[Molecular Formula]

C9H8ClNO
[MOL File]

7048-38-6.mol
[Molecular Weight]

181.62
Chemical PropertiesBack Directory
[Melting point ]

63 °C(Solv: water (7732-18-5); ethanol (64-17-5))
[Boiling point ]

138-140 °C(Press: 1 Torr)
[density ]

1.198±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[HS Code ]

2926907090
Spectrum DetailBack Directory
[Spectrum Detail]

(5-CHLORO-2-METHOXYPHENYL)ACETONITRILE(7048-38-6)1HNMR
Hazard InformationBack Directory
[Synthesis]

sodium:cyanide

773837-37-9

4-CHLORO-2-(CHLOROMETHYL)-1-METHOXYBENZENE

7035-11-2

(5-CHLORO-2-METHOXYPHENYL)ACETONITRILE

7048-38-6

The general procedure for the synthesis of 5-chloro-2-methoxyphenylacetonitrile from the compound (CAS: 773837-37-9) and 4-chloro-2-(chloromethyl)-1-methoxybenzene was as follows: compound Z-0-6 (32 g, 168 mmol) was dissolved in dimethyl sulfoxide (DMSO, 200 mL). Subsequently, sodium cyanide (29 g, 606 mmol) was added to the solution. The reaction mixture was heated to 80 °C under nitrogen protection and maintained at this temperature for 3 hours. Upon completion of the reaction, the mixture was cooled to room temperature, dispersed by the addition of water, and the product was subsequently separated by diafiltration. The filter cake was washed with a small amount of water and dried to give Z-0-7 (31 g, yield: 98.3%) as an orange-red solid.

[References]

[1] Patent: CN106243003, 2016, A. Location in patent: Paragraph 0130; 0131; 0136
[2] Patent: US2016/130239, 2016, A1. Location in patent: Paragraph 0735; 0739
[3] Patent: WO2014/151472, 2014, A1. Location in patent: Paragraph 00398-00399
[4] Patent: WO2016/40315, 2016, A1. Location in patent: Paragraph 00441; 00442
[5] Journal of Medicinal Chemistry, 2017, vol. 60, # 16, p. 7029 - 7042
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