Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile structure

4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile 

structure
  • CAS No:

    236750-65-5

  • Formula:

    C13H16N2O6

  • Chemical Name:

    4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile Basic Attributes

296

296.100830

1308068-626-2

DTXSID40581646

2926909090

Characteristics

107

1.1

1.3±0.1 g/cm3

459.3°C at 760 mmHg

231.6±28.7 °C

1.528

1.28E-08mmHg at 25°C

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

Recommended Suppliers of 4,5-Bis(2-methoxyethoxy)-2-nitrobenzonitrile

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.