2-Ethoxycarbonyl-1-methylvinyl cyclohexyl methylphosphonate

2-Ethoxycarbonyl-1-methylvinyl cyclohexyl methylphosphonate is an extremely toxic organophosphate nerve agent. It is the cyclohexyl methylphosphonate ester of ethyl acetoacetate.[1] The compound has two isomers, the cis isomer and trans isomer, with the trans isomer being more toxic.[2]

2-Ethoxycarbonyl-1-methylvinyl cyclohexyl methylphosphonate
Identifiers
3D model (JSmol)
ChemSpider
PubChem CID
InChI
  • InChI=1S/C13H23O5P/c1-4-16-13(14)10-11(2)17-19(3,15)18-12-8-6-5-7-9-12/h10,12H,4-9H2,1-3H3
    Key: TTYDEDJCAOJJNU-UHFFFAOYSA-N
SMILES
  • CCOC(=O)C=C(C)O[P](C)(=O)OC1CCCCC1
Properties
Chemical formula
 C13H23O5P
Molar mass 290.296 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

See also
  • 3,3,5-Trimethylcyclohexyl 3-pyridyl methylphosphonate
  • Mevinphos

References
  1. Dawson, Williamson. Studies Involving the Geometric Structures of Certain 2-Alkoxy-Carbonyl-1-Methylvinyl Cyclohexyl Methylphosphonates.
  2. "Phosphonate esters of alkyl acetoacetates".
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