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Methyl (2e)-2-methylbut-2-enoate

  • CAS No. 6622-76-0

  • Cat. No. CS-0257038
  • Purity≥98%
  • MDL No.MFCD00016654

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

Methyl (2e)-2-methylbut-2-enoate|CS-0257038

Structure of 6622-76-0

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General Information

  • CAS No. 6622-76-0
  • Cat. No. CS-0257038
  • Purity ≥98%
  • MDL No. MFCD00016654
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₂
  • Molecular Weight 114.14
  • Synonym(s) Tiglic Acid Methyl Ester
  • SMILES C/C=C(\C)/C(=O)OC

Description

5-Nitroindole has been used in various scientific research applications. It has been used as a starting material for the synthesis of indole derivatives, heterocycles, and other nitrogen-containing compounds. It has also been used in the synthesis of pharmaceuticals, agrochemicals, and other industrial products. Additionally, 5-Nitroindole has been used in biological studies, such as those involving enzyme inhibition, protein-protein interactions, and other biochemical processes.

Synthesis

  • Route1
    • null|null
      67-56-1
    • Tiglic acid, ≥99%|CS-1269155
      80-59-1
    • ~99%
    • Methyl (2e)-2-methylbut-2-enoate|CS-0257038
      6622-76-0

    References

    • Archibald, Sarah C.; Barden, David J.; Bazin, Jerome F.Y.; Fleming, Ian; Foster, Colin F.; Mandal, Ajay K.; Mandal, Amit K.; Parker, David; Takaki, Ken; Ware, Anne C.; Williams, Anne R.B.; Zwicky, Anna B. Organic and Biomolecular Chemistry, 2004 , vol. 2, # 7 p. 1051 - 1064
  • Route2

    References

    • Smonou, Ioulia; Khan, Saeed; Foote, Christopher S.; Elemes, Yiannis; Mavridis, Irene M.; Pantidou, Ariadne; Orfanopoulos, Michael Journal of the American Chemical Society, 1995 , vol. 117, # 27 p. 7081 - 7087
  • Route3
    • Methyl (Z)-2-(bromomethyl)but-2-enoate|CS-1096310
      33935-64-7
    • ~82%
    • Methyl (2e)-2-methylbut-2-enoate|CS-0257038
      6622-76-0

    References

    • Fernandes, Luciano; Bortoluzzi, Adailton J.; Sa, Marcus M. Tetrahedron, 2004 , vol. 60, # 44 p. 9983 - 9989

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.1256
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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