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CS-W001157 4
Total: USD 88.00

3-Oxo-2-phenylpentanenitrile

  • CAS No. 6277-02-7

  • Cat. No. CS-0366071
  • Molecule weight173.21
  • Purity≥98%
  • MDL No.MFCD01570061

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

3-Oxo-2-phenylpentanenitrile|CS-0366071

Structure of 6277-02-7

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General Information

  • CAS No. 6277-02-7
  • Cat. No. CS-0366071
  • Purity ≥98%
  • MDL No. MFCD01570061
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO
  • Molecular Weight 173.21
  • Synonym(s) α-(1-Oxopropyl)benzeneacetonitrile
  • SMILES CCC(=O)C(C#N)C1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      140-29-4
    • null|null
      105-37-3
    • ~97%
    • 3-Oxo-2-phenylpentanenitrile|CS-0366071
      6277-02-7

    References

    • Ji, Yaohui; Trenkle, William C.; Vowles, James V. Organic Letters, 2006 , vol. 8, # 6 p. 1161 - 1163
  • Route2
    • null|null
      554-12-1
    • null|null
      140-29-4
    • ~84%
    • 3-Oxo-2-phenylpentanenitrile|CS-0366071
      6277-02-7

    References

    • Holsworth, Daniel D.; Stier, Michael; Edmunds, Jeremy J.; He, Wei; Place, Samuel; Maiti, Samarendra Synthetic Communications, 2003 , vol. 33, # 20 p. 3467 - 3475
  • Route3
    • null|null
      79-03-8
    • null|null
      140-29-4
    • ~%
    • 3-Oxo-2-phenylpentanenitrile|CS-0366071
      6277-02-7

    References

    • Tarnchompoo, Bongkoch; Sirichaiwat, Chawanee; Phupong, Worrapong; Intaraudom, Chakapong; Sirawaraporn, Worachart; Kamchonwongpaisan, Sumalee; Vanichtanankul, Jarunee; Thebtaranonth, Yodhathai; Yuthavong, Yongyuth Journal of Medicinal Chemistry, 2002 , vol. 45, # 6 p. 1244 - 1252

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   2.27288
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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