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Tetrabutylammonium di-tert-butyl phosphate

  • CAS No. 68695-48-7

  • Cat. No. CS-0132208
  • Purity≥95%
  • MDL No.MFCD12198885

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

Tetrabutylammonium di-tert-butyl phosphate|CS-0132208

Structure of 68695-48-7

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General Information

  • CAS No. 68695-48-7
  • Cat. No. CS-0132208
  • Purity ≥95%
  • MDL No. MFCD12198885
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₅₄NO₄P
  • Molecular Weight 451.66
  • Synonym(s) Tetra-n-butylammonium di-tert-butylphosphate
  • SMILES CCCC[N+](CCCC)(CCCC)CCCC.O=P(OC(C)(C)C)([O-])OC(C)(C)C

Description

Tetrabutylammonium di-tert-butyl phosphate delivers a bulky, moisture-tolerant phosphate anion ideal for stabilizing reactive intermediates in organic synthesis. This bench-stable salt features a sterically shielded phosphate group that resists hydrolysis while enabling selective deprotonation and phase-transfer catalysis under mild conditions.

Application

Tetrabutylammonium di-tert-butyl phosphate serves as a robust, bench-stable source of the di-tert-butyl phosphate anion, enabling efficient phosphorylation reactions under mild conditions. It functions as a versatile reagent in nucleophilic phosphorylation and transition-metal-catalyzed coupling processes, offering excellent functional group tolerance and ease of purification. Its compatibility with diverse substrates makes it a practical choice for constructing phosphate-containing motifs in synthetic intermediates and active pharmaceutical ingredients.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   58.59
  • LogP   7.0886
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   14

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