2,5-Dimethoxybenzonitrile

Name	2,5-Dimethoxybenzonitrile
Synonyms	Einecs 226-169-2 2,5-DIMETHOXYBENZONI 2,5-Dimethoxybenzonitrile 2,5-DIMETHOXYBENZONITRILE Benzonitrile, 2,5-dimethoxy- 2-cyanohydroquinone dimethyl ether 3-{3-methoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CAS	5312-97-0
EINECS	226-169-2
InChI	InChI=1/C26H23N3O2/c1-17-5-4-6-20(11-17)16-31-24-10-8-19(14-25(24)30-3)13-21(15-27)26-28-22-9-7-18(2)12-23(22)29-26/h4-14H,16H2,1-3H3,(H,28,29)

Molecular Formula	C9H9NO2
Molar Mass	163.17
Density	1.12±0.1 g/cm3(Predicted)
Melting Point	81-85 °C (lit.)
Boling Point	288.8±25.0 °C(Predicted)
Flash Point	339.6°C
Vapor Presure	3.55E-16mmHg at 25°C
BRN	2691937
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.672
MDL	MFCD00016375

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves.
UN IDs	3276
WGK Germany	3
HS Code	29269090
Hazard Class	6.1
Packing Group	III

introduction	2,5-dimethoxybenzonitrile is an organic intermediate that can be prepared from 2,6-dimethylbenzylamine. There are reports that it can be used to prepare MDM2 inhibitors.
application	2,5-dimethoxybenzonitrile can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and pharmaceutical and chemical production process.
preparation	according to mol ratio 1:100:(100-500):(1000-3000), Ru complex, alkali, primary amine and organic solvent are added to the reaction tube, and the reaction is stirred at 80-120 ℃. After the gas chromatography monitoring raw materials completely disappear, stop the reaction to collect the reaction liquid is Ru complex. After preparing the synthesized Ru complex, Ru complex, alkali, primary amine and organic solvent were added to the reaction tube according to mol ratio of 1:100:400:2000, and stirred for 24 hours at 100 ℃. In the Ru complex, the ligand of the double CNP structure used is: 2, 6-dimethylbenzylamine is selected as the substrate to obtain a white solid with a 98.8% yield.

Last Update：2024-04-09 21:54:55

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CAS: 5312-97-0
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2,5-Dimethoxybenzonitrile

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