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CS-W001157 4
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1,3-Dithiane-2-carboxylic acid

  • CAS No. 20461-89-6

  • Cat. No. CS-0646095
  • Purity≥97%
  • MDL No.None

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

1,3-Dithiane-2-carboxylic acid|CS-0646095

Structure of 20461-89-6

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General Information

  • CAS No. 20461-89-6
  • Cat. No. CS-0646095
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₂S₂
  • Molecular Weight 164.25
  • Synonym(s) None
  • SMILES O=C(C1SCCCS1)O

Description

1,3-Dithiane-2-carboxylic acid features a stabilized carbanion at the C2 position, enabling direct functionalization in organometallic transformations. The dithiane ring provides exceptional bench stability and moisture tolerance, while the carboxylic acid group offers a handle for derivatization. This combination facilitates efficient synthesis of complex heterocycles and carbonyl-containing compounds under mild conditions.

Application

1,3-Dithiane-2-carboxylic acid serves as a versatile synthon in organic synthesis, enabling the formation of carbon–carbon bonds via dithiane-stabilized carbanions. Its well-established reactivity facilitates alkylation and subsequent functionalization under mild conditions, making it a reliable building block for complex molecular architectures. The molecule exhibits good bench stability and compatibility with common protecting group strategies, supporting efficient purification and integration into multi-step synthetic sequences.

Safety Information

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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-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.2672
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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