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CS-W001157 4
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2,2'-Methylenebis(4,6-di-tert-butylphenyl)phosphate sodium salt

  • CAS No. 85209-91-2

  • Cat. No. CS-B1290
  • Purity≥98%
  • MDL No.MFCD01748150

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

2,2'-Methylenebis(4,6-di-tert-butylphenyl)phosphate sodium salt|CS-B1290

Structure of 85209-91-2

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General Information

  • CAS No. 85209-91-2
  • Cat. No. CS-B1290
  • Purity ≥98%
  • MDL No. MFCD01748150
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₄₂NaO₄P
  • Molecular Weight 508.60
  • Synonym(s) 2,2'-Methylenebis(4,6-di-tert-butylphenol) phosphate sodium salt; Sodium 2,2'-methylene-bis-(4,6-di-tert-butylphenyl)phosphate
  • SMILES O=P1(O[Na])OC(C(C(C)(C)C)=CC(C(C)(C)C)=C2)=C2CC3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3O1

Description

This sodium salt features a robust phosphate core flanked by sterically shielded aryl groups, delivering exceptional stability and solubility in polar media. The methylene bridge enhances structural rigidity, while the bulky tert-butyl substituents minimize aggregation and facilitate handling under standard conditions.

Application

2,2'-Methylenebis(4,6-di-tert-butylphenyl)phosphate sodium salt serves as a robust, bench-stable ligand in transition metal catalysis, particularly effective in palladium-catalyzed cross-coupling reactions. Its sterically shielded aryl phosphate framework enhances catalyst longevity and promotes high functional group tolerance. The sodium counterion improves solubility in polar reaction media while maintaining compatibility with standard purification protocols. This compound functions reliably in the synthesis of complex aromatic scaffolds and advanced intermediates for pharmaceutical development.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H332-H372-H402-H411
Precautionary Statements : P260-P261-P264-P270-P271-P273-P304+P340-P391-P501

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   8.4468
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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