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Benzyl 3-methylbut-2-enoate

  • CAS No. 37526-89-9

  • Cat. No. CS-0468425
  • Purity≥98%
  • MDL No.None

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

Benzyl 3-methylbut-2-enoate|CS-0468425

Structure of 37526-89-9

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General Information

  • CAS No. 37526-89-9
  • Cat. No. CS-0468425
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₂
  • Molecular Weight 190.24
  • Synonym(s) 2-Butenoic acid, 3-methyl-, phenylmethyl ester
  • SMILES CC(C)=CC(OCC1=CC=CC=C1)=O

Synthesis

  • Route1

    References

    • Ishihara, Kazuaki; Nakayama, Masaya; Ohara, Suguru; Yamamoto, Hisashi Tetrahedron, 2002 , vol. 58, # 41 p. 8179 - 8188
  • Route2
    • null|null
      1229597-32-3
    • ~95%
    • Benzyl 3-methylbut-2-enoate|CS-0468425
      37526-89-9

    References

    • UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC.; LONG, Timothy, Edward; PATEL, Sravan, Kumar Patent: WO2010/68371 A2, 2010 ; Location in patent: Page/Page column 5 ;
  • Route3

    References

    • Bryant, Helen J.; Dardonville, Christophe Y.; Hodgkinson, Timothy J.; Hursthouse, Michael B.; Malik, K. M. Abdul; Shipman, Michael Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 7 p. 1249 - 1255

Safety Information

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GHS Pictogram : N/A
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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   26.3
  • LogP   2.696
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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