CAS 1450841-27-6: (3S,3′S,7aS,7′aS)-3,3′-(2,6-Pyridinediyl)bis[tetrahydro-1,1-diphenyl-1H,3H-pyrrolo[1,2-c]oxazole]

Description: The chemical substance with the name "(3S,3′S,7aS,7′aS)-3,3′-(2,6-Pyridinediyl)bis[tetrahydro-1,1-diphenyl-1H,3H-pyrrolo[1,2-c]oxazole]" and CAS number "1450841-27-6" is a complex organic compound characterized by its unique structural features, including multiple chiral centers and a fused bicyclic system. This compound contains a pyridine moiety, which contributes to its potential biological activity and interaction with various receptors. The presence of diphenyl and pyrrolo[1,2-c]oxazole units suggests that it may exhibit interesting electronic properties and could be relevant in medicinal chemistry, particularly in the development of pharmaceuticals. Its stereochemistry, indicated by the specific configuration at the chiral centers, is crucial for its biological activity, as even slight variations can significantly influence the compound's interaction with biological targets. Overall, this substance represents a class of compounds that may have applications in drug discovery and development, particularly in areas requiring specific molecular recognition and activity.

Formula: C₄₁H₃₉N₃O₂

InChI: InChI=1S/C41H39N3O2/c1-5-16-30(17-6-1)40(31-18-7-2-8-19-31)36-26-14-28-43(36)38(45-40)34-24-13-25-35(42-34)39-44-29-15-27-37(44)41(46-39,32-20-9-3-10-21-32)33-22-11-4-12-23-33/h1-13,16-25,36-39H,14-15,26-29H2/t36-,37-,38-,39-/m0/s1

InChI key: InChIKey=UFOJHPHCTXHMFQ-GTKRZRNESA-N

SMILES: N=1C(=CC=CC1C2OC(C=3C=CC=CC3)(C=4C=CC=CC4)C5N2CCC5)C6OC(C=7C=CC=CC7)(C=8C=CC=CC8)C9N6CCC9

Synonyms:

• 1H,3H-Pyrrolo[1,2-c]oxazole, 3,3′-(2,6-pyridinediyl)bis[tetrahydro-1,1-diphenyl-, (3S,3′S,7aS,7′aS)-
• (3S,3′S,7aS,7′aS)-3,3′-(2,6-Pyridinediyl)bis[tetrahydro-1,1-diphenyl-1H,3H-pyrrolo[1,2-c]oxazole]

2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine

CAS: 1450841-27-6

• Formula: C₄₁H₃₉N₃O₂
• Purity: 90.0%
• Color and Shape: Solid
• Molecular weight: 605.7673

2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine

CAS: 1450841-27-6

• Formula: C₄₁H₃₉N₃O₂
• Purity: >90.0%(HPLC)
• Color and Shape: White to Light yellow powder to crystal
• Molecular weight: 605.78

2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine

CAS: 1450841-27-6

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• Formula: C₄₁H₃₉N₃O₂
• Purity: Min. 95%
• Molecular weight: 605.77 g/mol