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CS-W001157 4
Total: USD 88.00

Tert-butyl (S)-3-hydroxybutanoate

  • CAS No. 82578-45-8

  • Cat. No. CS-0313136
  • Purity≥97%
  • MDL No.MFCD00040559

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

Tert-butyl (S)-3-hydroxybutanoate|CS-0313136

Structure of 82578-45-8

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General Information

  • CAS No. 82578-45-8
  • Cat. No. CS-0313136
  • Purity ≥97%
  • MDL No. MFCD00040559
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₃
  • Molecular Weight 160.21
  • Synonym(s) (S)-tert-butyl 3-hydroxybutanoate
  • SMILES C[C@@H](CC(=O)OC(C)(C)C)O

Synthesis

  • Route1

    References

    • Lin, Wenbin; Hu, Aiguo; Ngo, Helen L. Patent: US2004/192543 A1, 2004 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • Choi, Jun Ho; Choi, Yoon Kyung; Kim, Yu Hwan; Park, Eun Sil; Kim, Eun Jung; Kim, Mahn-Joo; Park, Jaiwook Journal of Organic Chemistry, 2004 , vol. 69, # 6 p. 1972 - 1977
  • Route3

    References

    • Matsuda, Tomoko; Marukado, Ryo; Mukouyama, Masaharu; Harada, Tadao; Nakamura, Kaoru Tetrahedron Asymmetry, 2008 , vol. 19, # 19 p. 2272 - 2275

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.099
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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