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CS-W001157 4
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Boc-C4-ethyne

  • CAS No. 1203588-17-3

  • Cat. No. CS-0375943
  • Molecule weight182.26
  • Purity≥96%
  • MDL No.None

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

Boc-C4-ethyne|CS-0375943

Structure of 1203588-17-3

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General Information

  • CAS No. 1203588-17-3
  • Cat. No. CS-0375943
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₈O₂
  • Molecular Weight 182.26
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)CCCCC#C

Description

tert-Butyl hept-6-ynoate features a terminal alkyne group flanked by a sterically hindered tert-butyl ester, enabling selective coupling reactions under mild conditions. This combination delivers enhanced stability and ease of handling in synthetic workflows involving transition-metal catalysis or conjugate additions.

Application

tert-Butyl hept-6-ynoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to alkynyl-functionalized intermediates. Its terminal alkyne moiety supports reliable copper-catalyzed coupling reactions, while the tert-butyl ester offers robust protection under acidic and basic conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows and the construction of complex scaffolds in medicinal chemistry and materials science applications.

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5217
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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