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CS-W001157 4
Total: USD 88.00

3-Oxoheptanenitrile

  • CAS No. 70102-84-0

  • Cat. No. CS-0297368
  • Purity≥95%
  • MDL No.None

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

3-Oxoheptanenitrile|CS-0297368

Structure of 70102-84-0

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General Information

  • CAS No. 70102-84-0
  • Cat. No. CS-0297368
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₁NO
  • Molecular Weight 125.17
  • Synonym(s) None
  • SMILES CCCCC(CC#N)=O

Synthesis

  • Route1
    • null|null
      70102-87-3
    • ~9%
    • 3-Oxoheptanenitrile|CS-0297368
      70102-84-0

    References

    • Eagon, Scott; Ball-Jones, Nicholas; Haddenham, Dustin; Saavedra, Jaime; Delieto, Cassandra; Buckman, Matthew; Singaram, Bakthan Tetrahedron Letters, 2010 , vol. 51, # 49 p. 6418 - 6421
  • Route2
    • null|null
      624-24-8
    • null|null
      75-05-8
    • ~%
    • 3-Oxoheptanenitrile|CS-0297368
      70102-84-0

    References

    • Miyamoto, Yasufumi; Banno, Yoshihiro; Yamashita, Tohru; Fujimoto, Tatsuhiko; Oi, Satoru; Moritoh, Yusuke; Asakawa, Tomoko; Kataoka, Osamu; Yashiro, Hiroaki; Takeuchi, Koji; Suzuki, Nobuhiro; Ikedo, Koji; Kosaka, Takuo; Tsubotani, Shigetoshi; Tani, Akiyoshi; Sasaki, Masako; Funami, Miyuki; Amano, Michiko; Yamamoto, Yoshio; Aertgeerts, Kathleen; Yano, Jason; Maezaki, Hironobu Journal of Medicinal Chemistry, 2011 , vol. 54, # 3 p. 831 - 850
  • Route3
    • null|null
      638-29-9
    • ~%
    • 3-Oxoheptanenitrile|CS-0297368
      70102-84-0

    References

    • McFadden, Helen G.; Huppatz, John L. Australian Journal of Chemistry, 1991 , vol. 44, # 9 p. 1263 - 1273

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.65938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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