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CS-W001157 4
Total: USD 88.00

3-(Naphthalen-2-yl)-3-oxopropanenitrile

  • CAS No. 613-57-0

  • Cat. No. CS-0315765
  • Molecule weight195.22
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

3-(Naphthalen-2-yl)-3-oxopropanenitrile|CS-0315765

Structure of 613-57-0

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General Information

  • CAS No. 613-57-0
  • Cat. No. CS-0315765
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO
  • Molecular Weight 195.22
  • Synonym(s) 2-Naphthoylacetonitrile
  • SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)CC#N

Synthesis

  • Route1

    References

    • Baraldi, Pier Giovanni; Romagnoli, Romeo; Pavani, Maria Giovanna; Del Carmen Nunez, Maria; Tabrizi, Mojgan Aghazadeh; Shryock, John C.; Leung, Edward; Moorman, Allan R.; Uluoglu, Canan; Iannotta, Valeria; Merighi, Stefania; Borea, Pier Andrea Journal of Medicinal Chemistry, 2003 , vol. 46, # 5 p. 794 - 809
  • Route2

    References

    • Shen, Jiaxuan; Yang, Dejun; Liu, Yuxiao; Qin, Shuangshuang; Zhang, Jingwu; Sun, Jiangkai; Liu, Chunhui; Liu, Chaoyang; Zhao, Xiaomei; Chu, Changhu; Liu, Renhua Organic Letters, 2014 , vol. 16, # 2 p. 350 - 353
  • Route3

    References

    • Pyo, Ayoung; Park, Ahbyeol; Jung, Hyunmin; Lee, Sunwoo Synthesis (Germany), 2012 , vol. 44, # 18 p. 2885 - 2888

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.93618
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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