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CS-W001157 4
Total: USD 88.00

1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one

  • CAS No. 2138-38-7

  • Cat. No. CS-0480037
  • Molecule weight211.69
  • Purity≥98%
  • MDL No.None

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

1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one|CS-0480037

Structure of 2138-38-7

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General Information

  • CAS No. 2138-38-7
  • Cat. No. CS-0480037
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄ClNO
  • Molecular Weight 211.69
  • Synonym(s) None
  • SMILES CN(C)CCC(=O)C1=CC=C(Cl)C=C1

Synthesis

  • Route1
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      50-00-0
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      506-59-2
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      99-91-2
    • ~81%
    • 1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one|CS-0480037
      2138-38-7

    References

    • Shanghai Institute of Pharmaceutical Industry; LI, Jianqi; ZHENG, Yongyong; LIAO, Yunfeng; LI, Yali Patent: EP2570409 A1, 2013 ; Location in patent: Paragraph 0030; 0049 ;
  • Route2

    References

    • Gracias, Vijaya; Ji, Zhiqin; Akritopoulou-Zanze, Irini; Abad-Zapatero, Cele; Huth, Jeffrey R.; Song, Danying; Hajduk, Philip J.; Johnson, Eric F.; Glaser, Keith B.; Marcotte, Patrick A.; Pease, Lori; Soni, Nirupama B.; Stewart, Kent D.; Davidsen, Steven K.; Michaelides, Michael R.; Djuric, Stevan W. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 8 p. 2691 - 2695
  • Route3
    • null|null
      50-00-0
    • null|null
      99-91-2
    • null|null
      124-40-3
    • ~%
    • 1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one|CS-0480037
      2138-38-7

    References

    • Pandeya; Sowmyalakshmi; Panda; Stables Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003 , vol. 42, # 10 p. 2657 - 2661

Safety Information

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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   20.31
  • LogP   2.4744
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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