Cas no 167171-03-1 (Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-)

The compound Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- is a chiral oxazole derivative featuring a diphenylphosphino substituent, which enhances its utility in asymmetric catalysis and coordination chemistry. The (4R)-configuration ensures enantioselective performance in synthetic applications, particularly in transition-metal-catalyzed reactions. Its rigid oxazole backbone and phosphine moiety contribute to stability and ligand efficiency, making it valuable for forming metal complexes with high stereocontrol. This compound is well-suited for cross-coupling, hydrogenation, and other stereospecific transformations, offering precise control over reaction outcomes. Its structural features also promote recyclability and reduced catalyst loading in industrial processes.
Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- structure
167171-03-1 structure
Product Name:Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
CAS No:167171-03-1
MF:C27H22NOP
MW:407.443447589874
MDL:MFCD01863025
CID:110878
PubChem ID:9822657
Update Time:2025-05-27

Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- Chemical and Physical Properties

Names and Identifiers

    • Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
    • (4R)-2-[2-(diphenylphosphanyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
    • (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
    • diphenyl-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
    • (4R)-2-[2-(Diphenylphosphino)phenyl]-4,5-dihydro-4-phenyloxazole
    • (R)-(?)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline
    • R(-)-2-(2-(DIPHENYLPHOSPHINO)PHENYL)-
    • (R)-2-(2-(Diphenylphosphino)phenyl)-4-phenyl-4,5-dihydrooxazole
    • (4R)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-Oxazole
    • Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
    • J-010342
    • CS-0086116
    • DTXSID20431352
    • (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline, >=97.0% (31P-NMR)
    • (R)-2-(2-(Diphenylphosphino)phenyl)-4,5-dihydro-4-phenyloxazole
    • (R)-Ph-Phox
    • AS-72611
    • AKOS025294683
    • D74609
    • 167171-03-1
    • MFCD01863025
    • A926741
    • EX-A7846X
    • SCHEMBL2367533
    • (R)-(-)-2-[2-(Diphenylphosphino)phenyl]-4-phenyl-2-oxazoline >=97.0% (31P-NMR)
    • DB-235145
    • (4R)-2-[2-(diphenylphosphino)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
    • MDL： MFCD01863025
    • Inchi： 1S/C27H22NOP/c1-4-12-21(13-5-1)25-20-29-27(28-25)24-18-10-11-19-26(24)30(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-19,25H,20H2/t25-/m0/s1
    • InChI Key： OKUTYUNUKKPYJS-VWLOTQADSA-N
    • SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1C1=N[C@H](C2C=CC=CC=2)CO1

Computed Properties

  • Exact Mass: 407.143901323g/mol
  • Monoisotopic Mass: 407.143901323g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 541
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 21.6?2

Experimental Properties

  • Boiling Point: 555.707°C at 760 mmHg

Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- Security Information

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(CAS:167171-03-1)Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
Order Number:A926741
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Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 14:48
Price ($):796.0/159.0

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Additional information on Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-

Introduction to Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- (CAS No. 167171-03-1)

Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- (CAS No. 167171-03-1) is a complex organic compound that has garnered significant attention in the fields of medicinal chemistry and catalysis. This compound, often referred to as a phosphine-functionalized oxazole, possesses unique structural and electronic properties that make it a valuable reagent in various synthetic transformations and pharmaceutical applications.

The core structure of Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- consists of a five-membered oxazole ring with a diphenylphosphino substituent attached to a phenyl group. The presence of the phosphine moiety imparts significant donor properties to the molecule, making it an excellent ligand for transition metal complexes. The (4R) stereochemistry further adds to its utility by enabling enantioselective reactions, which are crucial in the synthesis of chiral pharmaceuticals.

Recent research has highlighted the potential of this compound in asymmetric catalysis. A study published in the Journal of the American Chemical Society (JACS) demonstrated that Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- can be used as a ligand in palladium-catalyzed allylic alkylation reactions, achieving high enantioselectivities and yields. This finding opens up new avenues for the synthesis of complex chiral molecules with pharmaceutical relevance.

In addition to its catalytic applications, Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- has shown promise in medicinal chemistry. Its ability to modulate biological targets through specific interactions has been explored in several studies. For instance, a research team at the University of California, San Francisco, investigated the use of this compound as a scaffold for developing inhibitors of protein-protein interactions (PPIs). The results indicated that derivatives of this oxazole could effectively disrupt PPIs involved in cancer signaling pathways, suggesting potential therapeutic applications.

The synthetic accessibility of Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- is another factor contributing to its popularity. A robust and scalable synthetic route has been developed by researchers at the Max Planck Institute for Coal Research. This method involves a sequence of reactions including palladium-catalyzed cross-coupling and asymmetric hydrogenation steps. The efficiency and reliability of this synthetic protocol have facilitated the production of this compound on both laboratory and industrial scales.

The physical and chemical properties of Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- have also been extensively characterized. It is typically obtained as a white solid with a melting point ranging from 100 to 105°C. The compound is soluble in common organic solvents such as dichloromethane and tetrahydrofuran but exhibits limited solubility in water. These properties make it suitable for use in various organic reactions and purification techniques.

In terms of safety and handling, while specific safety data sheets (SDS) should always be consulted for detailed information, general precautions include using appropriate personal protective equipment (PPE) such as gloves and goggles when handling this compound. It should be stored in a cool, dry place away from strong oxidizers and sources of ignition.

The future prospects for Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- are promising. Ongoing research is focused on expanding its application areas beyond catalysis and medicinal chemistry. For example, there is growing interest in using this compound as a building block for supramolecular assemblies and materials science applications. The unique combination of its electronic properties and stereochemistry makes it an attractive candidate for these emerging fields.

In conclusion, Oxazole, 2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)- (CAS No. 167171-03-1) is a versatile and valuable compound with significant potential in multiple areas of chemical research and development. Its role in asymmetric catalysis and medicinal chemistry highlights its importance as a key reagent and scaffold for future innovations.

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Amadis Chemical Company Limited
(CAS:167171-03-1)Oxazole,2-[2-(diphenylphosphino)phenyl]-4,5-dihydro-4-phenyl-, (4R)-
A926741
Purity:99%/99%
Quantity:5g/1g
Price ($):796.0/159.0
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