Production Method 1

19814-75-6

13716-10-4

856405-77-1

Reaction Conditions

1.1 Reagents: Butyllithium ,  N,N,N′,N′-Tetramethylethylenediamine Solvents: Hexane ,  Heptane ;  15 h, rt
1.2 24 h, 60 °C

Reference

Pd2(dba)3/Xantphos-catalyzed cross-coupling of thiols and aryl bromides/triflates

Mispelaere-Canivet, Clotilde; et al, Tetrahedron, 2005, 61(22), 5253-5259

9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene Raw materials

• 9,9-Dimethyl-9H-xanthene
• Di-t-butylchlorophosphine

9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene Preparation Products

• 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene (856405-77-1)

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• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzopyrans Dibenzopyrans
• Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Dibenzopyrans
• Solvents and Organic Chemicals Organic Compounds Hydrocarbons

Comprehensive Overview of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene (CAS No. 856405-77-1)

9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene, with the CAS number 856405-77-1, is a highly specialized organophosphorus compound widely utilized in advanced catalytic systems and materials science. Its unique xanthene backbone and sterically hindered phosphine ligands make it a cornerstone in asymmetric synthesis, cross-coupling reactions, and transition-metal catalysis. Researchers and industries increasingly seek this compound due to its exceptional electron-donating properties and thermal stability, aligning with the growing demand for sustainable and efficient chemical processes.

The molecular structure of 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene features a rigid xanthene scaffold that enhances ligand stability during catalytic cycles. This structural robustness, combined with the di-tert-butylphosphino groups, enables high selectivity in reactions such as C-C bond formation and hydrogenation. Recent studies highlight its role in green chemistry applications, where minimizing waste and energy consumption is critical. As industries shift toward eco-friendly synthesis, this compound’s relevance continues to rise, addressing queries like "phosphine ligands for sustainable catalysis" and "high-performance catalysts for pharmaceutical intermediates."

In the context of AI-driven drug discovery and computational chemistry, 856405-77-1 has garnered attention for its predictable behavior in silico modeling. Its steric and electronic parameters are frequently optimized in virtual screening workflows, answering trending search terms such as "best ligands for Pd-catalyzed reactions" and "phosphine ligands in machine learning-assisted catalysis." Furthermore, its compatibility with flow chemistry systems makes it a candidate for continuous manufacturing—a hot topic in Industry 4.0 discussions.

From a commercial perspective, 9,9-Dimethyl-4,5-bis(di-tert-butylphosphino)xanthene is pivotal in producing high-value fine chemicals and agrochemicals. Its application in chiral synthesis aligns with the pharmaceutical sector’s demand for enantiopure compounds, addressing searches like "asymmetric hydrogenation ligands" and "phosphine catalysts for API synthesis." The compound’s air stability and ease of handling further enhance its practicality in large-scale operations, distinguishing it from traditional phosphine ligands that require inert conditions.

Looking ahead, innovations in renewable energy and carbon capture technologies may expand the utility of CAS 856405-77-1. For instance, its potential role in CO2 conversion catalysts is being explored, resonating with searches such as "phosphine ligands for electrochemical reduction." As interdisciplinary research grows, this compound’s versatility ensures its prominence in both academic and industrial settings, solidifying its status as a cutting-edge chemical tool for modern challenges.

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