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CS-W001157 4
Total: USD 88.00

(E)-2-(4-chlorobut-2-en-1-yl)isoindoline-1,3-dione

  • CAS No. 49705-66-0

  • Cat. No. CS-0490640
  • Purity≥98%
  • MDL No.None

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

(E)-2-(4-chlorobut-2-en-1-yl)isoindoline-1,3-dione|CS-0490640

Structure of 49705-66-0

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General Information

  • CAS No. 49705-66-0
  • Cat. No. CS-0490640
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀ClNO₂
  • Molecular Weight 235.67
  • Synonym(s) 2-(4-CHLORO-2-BUTENYL)-1,3-ISOINDOLINEDIONE
  • SMILES ClC/C=C/CN1C(=O)C2C(=CC=CC=2)C1=O

Synthesis

  • Route1
    • null|null
      110-57-6
    • null|null
      1074-82-4
    • ~73%
    • (E)-2-(4-chlorobut-2-en-1-yl)isoindoline-1,3-dione|CS-0490640
      49705-66-0

    References

    • Gov't of the USA as represented by The Secretary of the Department of Health and Human Services Patent: US2006/106030 A1, 2006 ; Location in patent: Page/Page column 4 ; US 20060106030 A1
  • Route2
    • null|null
      1074-82-4
    • null|null
      110-57-6
    • ~49%
    • (E)-2-(4-chlorobut-2-en-1-yl)isoindoline-1,3-dione|CS-0490640
      49705-66-0

    References

    • Taiho Pharmaceutical Co. Ltd. Patent: US5401739 A1, 1995 ;
  • Route3
    • null|null
      764-41-0
    • null|null
      1074-82-4
    • ~38%
    • (E)-2-(4-chlorobut-2-en-1-yl)isoindoline-1,3-dione|CS-0490640
      49705-66-0

    References

    • PHARMACIA CORPORATION Patent: WO2005/25620 A2, 2005 ; Location in patent: Page/Page column 129 ; WO 2005/025620 A2

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   37.38
  • LogP   2.0776
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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