Cas no 36778-78-6 ((3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol)

(3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol structure
36778-78-6 structure
Product Name:(3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol
CAS No:36778-78-6
MF:C18H19NO3
MW:297.348365068436
CID:309736
PubChem ID:96863
Update Time:2025-10-29

(3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • 1H,3H,5H-Oxazolo[3,4-c]oxazole-7a(7H)-methanol,3,5-diphenyl-
    • (3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl)methanol
    • (3,5-Diphenyl-oxazolo[3,4-c]oxazol-7a-yl)-methanol
    • 1H,3H,5H-Oxazolo(3,4-c)oxazole, 3,5-diphenyl-7a-hydroxymethyl-
    • 1H,3H,5H-Oxazolo(3,4-c)oxazole-7a(7H)-methanol, 3,5-diphenyl-
    • 1H,5H-Oxazolo[3,4-c]oxazole-7a(7H)-methanol, 3,5-diphenyl-
    • 1H,5H-Oxazolo[3,4-c]oxazole-7a[7H]-methanol, 3,5-diphenyl-
    • 3,5-diphenyl-7a-hydroxymethyl-dihydro-oxazolo[3,4-c]oxazole
    • BRN 0246274
    • NSC664981
    • SCHEMBL6549540
    • NSC-90566
    • DTXSID30957997
    • (3,5-diphenyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazol-7a-yl)methanol
    • TimTec1_008175
    • CHEMBL1466038
    • NSC-664981
    • SR-01000317184
    • (3,5-Diphenyl-1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-yl)methanol
    • 4-27-00-06425 (Beilstein Handbook Reference)
    • Oprea1_763647
    • NCIOpen2_005749
    • AKOS000621796
    • CS-0327545
    • regid843058
    • HMS3324L03
    • 36778-78-6
    • (3,5-Diphenyl-1H,3H,5H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol
    • NSC90566
    • SR-01000317184-1
    • {3,5-diphenyl-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl}methanol
    • VS-06809
    • 1H,5H-Oxazolo[3,4-c]oxazole, 3,5-diphenyl-7a-hydroxymethyl-
    • HMS2154A09
    • HMS1557D13
    • SMR000008753
    • AKOS022061517
    • (3,5-Diphenyl-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol
    • Oprea1_008470
    • NSC 90566
    • MLS000070546
    • (3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol
    • Inchi: 1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2
    • InChI Key: RXJSYYBGXMOGCK-UHFFFAOYSA-N
    • SMILES: O1CC2(CO)COC(C3C=CC=CC=3)N2C1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 297.13657
  • Monoisotopic Mass: 297.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 347
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 41.9?2

Experimental Properties

  • Density: 1.29
  • Boiling Point: 459.6°C at 760 mmHg
  • Flash Point: 231.8°C
  • Refractive Index: 1.655
  • PSA: 41.93
  • LogP: 2.41540

(3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol Pricemore >>

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(3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol Related Literature

Additional information on (3,5-Diphenyl-1H-1,3oxazolo3,4-c1,3oxazol-7a(7H)-yl)methanol

Comprehensive Overview of (3,5-Diphenyl-1H-1,3-oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol (CAS No. 36778-78-6)

(3,5-Diphenyl-1H-1,3-oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol (CAS No. 36778-78-6) is a heterocyclic compound with a unique molecular structure that has garnered significant attention in recent years due to its potential applications in pharmaceutical research and material science. The compound features a fused oxazole-oxazole ring system, which is rare in organic chemistry, making it a subject of interest for synthetic chemists and researchers exploring novel bioactive molecules. Its methanol functional group further enhances its versatility, allowing for derivatization and integration into more complex molecular architectures.

In the context of current scientific trends, (3,5-Diphenyl-1H-1,3-oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol aligns with the growing demand for heterocyclic scaffolds in drug discovery. Heterocycles are pivotal in medicinal chemistry, as they often exhibit improved bioavailability and target specificity. Researchers are particularly intrigued by the compound's potential as a building block for designing kinase inhibitors or antimicrobial agents, given the pharmacological relevance of similar structures. Additionally, its diphenyl moieties may contribute to enhanced lipophilicity, a property critical for crossing biological membranes.

The synthesis of CAS No. 36778-78-6 involves multi-step organic reactions, often starting from readily available precursors like benzoyl derivatives and amino alcohols. Recent advancements in green chemistry have also explored catalytic methods to optimize yield and reduce waste, addressing the global push for sustainable laboratory practices. This compound's stability under ambient conditions makes it a practical candidate for further experimental studies, though proper storage in anhydrous environments is recommended to preserve its integrity.

From an industrial perspective, (3,5-Diphenyl-1H-1,3-oxazolo[3,4-c][1,3]oxazol-7a(7H)-yl)methanol has potential applications beyond pharmaceuticals. Its rigid, aromatic-rich structure could be leveraged in organic electronics, such as OLEDs or photovoltaic materials, where conjugated systems are essential for charge transport. The compound's fluorescence properties, if any, remain an area of active investigation, with preliminary studies suggesting tunable optical characteristics upon functionalization.

For researchers and suppliers, understanding the spectroscopic data (e.g., NMR, IR, and mass spectrometry) of this compound is crucial for quality control. Analytical techniques confirm its purity and structural authenticity, which are vital for reproducibility in downstream applications. Furthermore, computational studies, including DFT calculations, can provide insights into its electronic properties and reactivity, aiding in rational design strategies.

In summary, CAS No. 36778-78-6 represents a compelling case study at the intersection of synthetic chemistry and applied science. Its multifaceted utility—from drug development to advanced materials—positions it as a valuable asset in modern research. As the scientific community continues to explore heterocyclic diversity, compounds like this will likely play a pivotal role in addressing challenges across disciplines, from healthcare to renewable energy technologies.

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