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CS-W001157 4
Total: USD 88.00

Allyl acrylate

  • CAS No. 999-55-3

  • Cat. No. CS-0167369
  • Purity≥97%
  • MDL No.MFCD00014949

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

Allyl acrylate|CS-0167369

Structure of 999-55-3

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General Information

  • CAS No. 999-55-3
  • Cat. No. CS-0167369
  • Purity ≥97%
  • MDL No. MFCD00014949
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₂
  • Molecular Weight 112.13
  • Synonym(s) prop-2-en-1-yl prop-2-enoate
  • SMILES C=CC(OCC=C)=O

Description

TCO-PEG3-TCO is a reagent containing TCO moiety at both ends of the molecule. TCO group specifically and efficiently reacts with tetrazine. The hydrophilic PEG linker increases the solubility of compounds in aqueous media.

Synthesis

  • Route1
    • null|null
      107-05-1
    • null|null
      79-10-7
    • ~77%
    • Allyl acrylate|CS-0167369
      999-55-3

    References

    • Liang, Zheng Yong; Wang, Li Li; Liu, Hui; Huang, Jin Shuo Journal of the Chilean Chemical Society, 2013 , vol. 58, # 1 p. 1558 - 1561
  • Route2
    • null|null
      187737-37-7
    • null|null
      79-10-7
    • ~0%
    • 5-Methyl-3-methylenedihydrofuran-2(3H)-one|CS-0167387
      62873-16-9
    • Allyl acrylate|CS-0167369
      999-55-3

    References

    • WO2008/23823 A1, ; Page/Page column 83, 92 ;
  • Route3
    • null|null
      591-87-7
    • null|null
      79-10-7
    • ~90%
    • Allyl acrylate|CS-0167369
      999-55-3

    References

    • Nakagawa, Hideto; Hirabayashi, Tomotaka; Sakaguchi, Satoshi; Ishii, Yasutaka Journal of Organic Chemistry, 2004 , vol. 69, # 10 p. 3474 - 3477

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 2929
Class : 6.1,3
Packing Group : Ⅱ
Hazard Statements : H225-H301+H311-H315-H319-H330
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P361+P364-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.9016
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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