4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile
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4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile
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CAS No:
236750-65-5
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Formula:
C13H16N2O6
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Chemical Name:
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile
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Synonyms:
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile;BENZONITRILE, 4,5-BIS(2-METHOXYETHOXY)-2-NITRO-;Erlotinib Impurity 13;4-5-bis(2-methoxyethoxy)-2-nitrobenzonitrile;SCHEMBL482018;CTK4F2022;KS-00000QIU;DTXSID40581646;BCP08819;ANW-67559
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CAS No:
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile Basic Attributes
296
296.100830
1308068-626-2
DTXSID40581646
2926909090
4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile Use and Manufacturing
To 70percent nitric acid (84ml) maintained at 4Oc) 4, 5-bis(2-methoxyethoxy)-2-nitrobenzonitrile:; To 70percent nitric acid (84ml) maintained at 4ONitric acid (65 percent, 16.2 g, 254.5 mmol) was dropwise added directly into flask containing 3, 4-bis(2-methoxyethoxy)benzonitrile (12.8 g, 50.9 mmol). The mixture was then heated with stirring to 50 °C until starting material was completely dissolved. After stirring for two days at RT the reaction mixture was dissolved with water (50 ml) and formed precipitate was filtered off and washed with water (100 ml). After crystallization from chloroform the title compound was obtained in form of white crystals (7.1 g, 47 percent). Spectral data were in agreement with literature.Chandregowda, Venkateshappa; Rao, Gudapati Ventakeswara; Reddy, Goukanapalli Chandrasekara Heterocycles, 2007 , vol. 71, 1 p. 39 - 48.Nitric acid (65 percent, 16.2 g, 254.5 mmol) was dropwise added directly into flask containing 3, 4- bis(2-methoxyethoxy)benzonitrile (12.8 g, 50.9 mmol). The mixture was then heated with stirring to 50 °C until starting material was completely dissolved. After stirring for two days at RT the reaction mixture was dissolved with water (50 ml) and formed precipitate was filtered off and washed with water (100 ml). After crystallization from chloroform the title compound was obtained in form of white crystals (7.1 g, 47 percent). Spectral data were in agreement with literature. Chandregowda, Venkateshappa; Rao, Gudapati Ventakeswara; Reddy, Goukanapalli Chandrasekara Heterocycles, 2007 , vol. 71 , 1 p. 39 - 48.
Computed Properties
Molecular Weight:296.28
XLogP3:1.1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:296.10083623
Monoisotopic Mass:296.10083623
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:363
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile
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