1040274-18-7 | 2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole

Packsize	Purity	Availability	Price	Discounted Price
50mg	97%	in stock	$243.00	$171.00

Description

• Catalog Number: AB51628
• Chemical Name: 2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole
• CAS Number: 1040274-18-7
• Molecular Formula: C48H60NOP
• Molecular Weight: 697.9699
• MDL Number: MFCD21362521
• SMILES: CC(c1cc(cc(c1)C(C)(C)C)P(c1cccc2c1[C@]1(CC2)CCc2c1c(ccc2)C1=NCCO1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C)C

Computed Properties

• Complexity: 1150
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 51
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• XLogP3: 13.7

Upstream Synthesis Route

2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole is a versatile ligand that finds crucial applications in chemical synthesis, particularly in coordination chemistry and catalysis. This complex ligand is known for its ability to stabilize metal complexes, leading to enhanced reactivity and selectivity in various chemical transformations.In coordination chemistry, this ligand can effectively coordinate with a wide range of transition metal ions, forming stable complexes that exhibit unique electronic and steric properties. These metal complexes can be utilized in various catalytic processes such as cross-coupling reactions, hydrogenation, and asymmetric synthesis. The presence of the phosphine and oxazole groups in the ligand structure provides a chelating effect that enhances the overall stability of the metal-ligand complex.Moreover, the spirobiindane scaffold in the ligand framework imparts rigidity and chirality, making it particularly useful in asymmetric catalysis. The chiral environment created by this ligand helps in controlling the stereochemistry of the chemical reactions, leading to the formation of enantiomerically enriched products.Overall, the application of 2-[(1S)-7'-[Bis[3,5-bis(1,1-dimethylethyl)phenyl]phosphino]-2,2',3,3'-tetrahydro-1,1'-spirobi[1H-inden]-7-yl]-4,5-dihydrooxazole in chemical synthesis offers a valuable tool for researchers in designing and developing novel synthetic methodologies with high efficiency and selectivity.