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CS-W001157 4
Total: USD 88.00

Methyl (E)-oct-2-enoate

  • CAS No. 7367-81-9

  • Cat. No. CS-0097187
  • Purity≥97%
  • MDL No.MFCD00036620

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

Methyl (E)-oct-2-enoate|CS-0097187

Structure of 7367-81-9

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General Information

  • CAS No. 7367-81-9
  • Cat. No. CS-0097187
  • Purity ≥97%
  • MDL No. MFCD00036620
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) trans-2-Octenoic acid methyl ester
  • SMILES CCCCC/C=C/C(OC)=O

Description

Methyl (E)-oct-2-enoate is a conjugated ester featuring a stable (E)-configured double bond between carbons 2 and 3. This geometry imparts predictable reactivity in cross-coupling and cycloaddition processes. The methyl ester group enables direct participation in nucleophilic transformations, while the extended alkyl chain supports solubility in common organic solvents. Ideal for synthetic intermediates requiring defined stereochemistry and functional group compatibility.

Application

Methyl (E)-oct-2-enoate serves as a versatile building block in synthetic organic chemistry, enabling stereoselective transformations via its well-defined (E)-configured double bond. Its stability under standard reaction conditions and compatibility with common functional groups facilitate efficient use in cross-coupling reactions, conjugate additions, and heterocycle synthesis. The ester moiety provides a handle for selective derivatization, making it valuable for constructing complex molecular architectures in medicinal chemistry and materials science applications.

Synthesis

  • Route1
    • Methyl 2-Octynoate, ≥99%, stabilized|CS-1268665
      111-12-6
    • ~92%
    • In-stock
      Methyl (E)-oct-2-enoate|CS-0097187
      7367-81-9

    References

    • Shen, Ruwei; Chen, Tieqiao; Zhao, Yalei; Qiu, Renhua; Zhou, Yongbo; Yin, Shuangfeng; Wang, Xiangbo; Goto, Midori; Han, Li-Biao Journal of the American Chemical Society, 2011 , vol. 133, # 42 p. 17037 - 17044
  • Route2
    • In-stock
      Methyl 2-(diethoxyphosphoryl)acetate|CS-W019238
      1067-74-9
    • null|null
      66-25-1
    • ~52%
    • In-stock
      Methyl (E)-oct-2-enoate|CS-0097187
      7367-81-9

    References

    • Bodman, Kerstin; Has-Becker, Shenay; Reiser, Oliver Phosphorus, Sulfur and Silicon and Related Elements, 1999 , vol. 144-146, p. 173 - 176
  • Route3
    • null|null
      344332-97-4
    • ~76%
    • In-stock
      Methyl (E)-oct-2-enoate|CS-0097187
      7367-81-9
    • null|null
      41654-16-4
    • Methyl (e)-non-3-enoate|CS-0876373
      36781-67-6

    References

    • Oku, Akira; Abe, Manabu; Iwamoto, Masaharu Journal of Organic Chemistry, 1994 , vol. 59, # 24 p. 7445 - 7452

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H227-H302
Precautionary Statements : P210-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2959
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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