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CS-W001157 4
Total: USD 88.00

(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)

  • CAS No. 1435467-28-9

  • Cat. No. CS-0091147
  • Purity≥97%
  • MDL No.None

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

(3aS,3a'S,8aR,8a'R)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole)|CS-0091147

Structure of 1435467-28-9

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General Information

  • CAS No. 1435467-28-9
  • Cat. No. CS-0091147
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₃H₄₆N₂O₂
  • Molecular Weight 622.84
  • Synonym(s) (3aS,3'aS,8aR,8'aR)-2,2'-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[3a,8a-dihydro-8H-Indeno[1,2-d]oxazole
  • SMILES CC(C)(C)C(C=C1)=CC=C1CC(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)C)C=C8

Description

(S,R)-BtbbIn-Sabox is a chiral boronate ester featuring a rigid, bicyclic scaffold that enhances stereochemical stability. This structure enables selective cross-coupling reactions under mild conditions, delivering high diastereoselectivity in complex molecule synthesis. The para-nitro-substituted aryl group improves reactivity while maintaining bench-stable handling.

Application

(S,R)-BtbbIn-Sabox serves as a versatile chiral building block in synthetic organic chemistry, enabling stereoselective transformations through its well-defined diastereotopic functionality. Its robust bench stability and compatibility with common coupling protocols facilitate efficient incorporation into complex molecular architectures. The scaffold functions effectively in the construction of bioactive heterocycles and medicinal chemistry intermediates, offering predictable reactivity and ease of purification in standard laboratory workflows.

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   9.2426
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   6

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