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(S,R)-BdtbIn-Sabox

  • CAS No. 1435467-29-0

  • Cat. No. CS-0087929
  • Purity≥95%
  • MDL No.MFCD27978391

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

(S,R)-BdtbIn-Sabox|CS-0087929

Structure of 1435467-29-0

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General Information

  • CAS No. 1435467-29-0
  • Cat. No. CS-0087929
  • Purity ≥95%
  • MDL No. MFCD27978391
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅₁H₆₂N₂O₂
  • Molecular Weight 735.05
  • Synonym(s) (3aS,8aR,3a'S,8a'R)-2,2'-{1,3-Bis[3,5-bis(2-methyl-2-propanyl)phenyl]-2,2-propanediyl}bis(8,8a-dihydro-3aH-indeno[1,2-d][1,3]oxazole)
  • SMILES CC(C1=CC(CC(C2=N[C@@H]3[C@@H](CC4=C3C=CC=C4)O2)(C5=N[C@@H](C(C=CC=C6)=C6C7)[C@@H]7O5)CC8=CC(C(C)(C)C)=CC(C(C)(C)C)=C8)=CC(C(C)(C)C)=C1)(C)C

Description

This (S,R)-BdtbIn-Sabox compound features a chiral bis-dithiolane scaffold paired with a sabox moiety, enabling selective coordination in asymmetric catalysis. The stereochemically defined structure enhances enantioselectivity in transition-metal-catalyzed transformations, offering robust performance under standard bench conditions.

Application

(S,R)-BdtbIn-Sabox serves as a versatile chiral building block in asymmetric synthesis, enabling stereoselective transformations through its well-defined diastereotopic functionality. Its bench-stable structure and compatibility with common coupling conditions facilitate efficient incorporation into complex molecular architectures, particularly in the construction of heterocyclic scaffolds and bioactive analogs.

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   43.18
  • LogP   11.8376
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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