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CS-W001157 4
Total: USD 88.00

Ethyl (E)-4,4-dimethylpent-2-enoate

  • CAS No. 87995-20-8

  • Cat. No. CS-0571743
  • Purity≥98%
  • MDL No.None

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

Ethyl (E)-4,4-dimethylpent-2-enoate|CS-0571743

Structure of 87995-20-8

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General Information

  • CAS No. 87995-20-8
  • Cat. No. CS-0571743
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) Ethyl 4,4-dimethylpent-2-enoate
  • SMILES CCOC(=O)/C=C/C(C)(C)C

Synthesis

  • Route1

    References

    • Institute Of Medicinal Molecular Design, Inc.; ShionogiandCo., Ltd. Patent: EP2208728 A1, 2010 ; Location in patent: Page/Page column 172 ;
  • Route2

    References

    • MERCK SHARP and DOHME LIMITED; MERCK and CO., INC. Patent: WO2007/125364 A1, 2007 ; Location in patent: Page/Page column 51 ; WO 2007/125364 A1
  • Route3
    • null|null
      99183-01-4
    • ~93%
    • Ethyl (E)-4,4-dimethylpent-2-enoate|CS-0571743
      87995-20-8

    References

    • Lopez, Susana S.; Engel, Douglas A.; Dudley, Gregory B. Synlett, 2007 , # 6 p. 949 - 953

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.1518
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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