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CS-W001157 4
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Diethyl ((methylsulfonyl)methyl)phosphonate

  • CAS No. 40137-11-9

  • Cat. No. CS-0046853
  • Purity≥95%
  • MDL No.MFCD00181919

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

Diethyl ((methylsulfonyl)methyl)phosphonate|CS-0046853

Structure of 40137-11-9

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General Information

  • CAS No. 40137-11-9
  • Cat. No. CS-0046853
  • Purity ≥95%
  • MDL No. MFCD00181919
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₅O₅PS
  • Molecular Weight 230.22
  • Synonym(s) Phosphonic acid, [(methylsulfonyl)methyl]-, diethyl ester
  • SMILES O=S(CP(OCC)(OCC)=O)(C)=O

Description

Diethyl (methylsulfonyl)methylphosphonate features a sulfone-modified phosphonate moiety that enhances hydrolytic stability and facilitates selective functionalization in C–H activation processes. This bench-stable reagent integrates readily into synthetic sequences requiring electron-deficient phosphorus centers, enabling efficient coupling with nucleophiles under mild conditions.

Application

Diethyl ((methylsulfonyl)methyl)phosphonate serves as a versatile synthon in nucleophilic functionalization, enabling the direct introduction of a (methylsulfonyl)methyl group via P–C bond formation. Its stability under standard synthetic conditions and compatibility with diverse electrophiles facilitate efficient access to sulfone-containing building blocks. The molecule functions effectively in alkylation reactions, particularly in the construction of phosphonate derivatives relevant to medicinal chemistry and agrochemical scaffolds.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   69.67
  • LogP   1.2546
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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