Non-Cryogenic Heteroatom-Bridge Catalyst Precursor Synthesis for Scale-Up
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Solution Overview
Problem
Current synthesis of heteroatom-bridged bis(biphenylphenoxy) catalyst systems requires cryogenic conditions, leading to high production costs for large-scale olefin polymerization.
Innovation Solution
A method for preparing heteroatom-bridge precursors at non-cryogenic temperatures (90° C. to 150° C.) using alkyl halides and metal halides to synthesize compounds of formula Q2X(R1)(R2), where X is Si, Ge, or Pb, and R1 and R2 can form rings with 3 to 50 atoms, excluding hydrogen.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If cryogenic conditions (−78° C.) are used for synthesizing heteroatom-bridged catalyst systems, then the synthesis can proceed with acceptable yield and selectivity, but the production cost increases considerably for large-scale operations
Solution Approach 1:
The patent changes the temperature parameter from cryogenic (−78° C.) to non-cryogenic conditions (25° C. to 150° C.) by modifying the reaction conditions and using alternative reagents. This parameter change resolves the contradiction by enabling cost-effective large-scale production while maintaining acceptable synthesis outcomes through adjusted reaction parameters rather than maintaining expensive cryogenic conditions
2Ease of manufacture
If non-cryogenic temperatures (90° C. to 150° C.) are used for synthesizing heteroatom-bridge precursors, then production costs are reduced and large-scale production becomes feasible, but the synthesis method must be redesigned to achieve acceptable yields
Solution Approach 1:
The patent introduces intermediary compounds (lithium compounds as intermediates in the reaction sequence) that facilitate the transformation at non-cryogenic temperatures. These intermediaries enable the reaction to proceed efficiently at higher temperatures while maintaining good yields, thus resolving the contradiction between cost reduction and yield maintenance
Solution Approach 2:
The patent employs multiple parameter changes including temperature (from −78° C. to 90-150° C.), reagent selection (using lithium compounds and alkyl halides), and reaction sequence optimization. These parameter changes collectively enable the synthesis to achieve acceptable yields under non-cryogenic conditions, resolving the contradiction between manufacturing precision and ease of manufacture
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
This approach reduces production costs and enables efficient synthesis of heteroatom-bridge precursors for metal-ligand complex catalysts, enhancing the feasibility of large-scale olefin polymerization processes.
Implementation Method 1
reacting at least one alkyl halide, a metal halide, and a compound of formula Q2X(R1)(R2), at from 90° C. to 150° C., where X, Q, R1, and R2 are as defined above, to provide the heteroatom-bridge precursor
Data Source
AI summary
Embodiments are directed to a metal-ligand complex catalyst precursor, (L1)(L2)X(R1)(R2), and methods for producing the same from a compound of formula Q2X(R1)(R2). L1 and L2 are independently —R3—Z1 or —R4—Z1. R1 and R2 are independently selected from a hydrogen atom, (C1-C40)hydrocarbyl and, optionally, R1 and R2 are connected to form a ring having from 3 to 50 atoms in the ring, excluding hydrogen atoms. X is Si, Ge, Sn, or Pb. Each Q is independently Ar1—Y1R3— or Ar2—Y2—R4—. R3 and R4 are independently selected from —(CRC2)m—, where m is 1 or 2, and where each RC is independently selected from the group consisting of (C1-C40)hydrocarbyl, (C1-C40)heterohydrocarbyl, and —H. Y1 and Y2 are independently S, Se, or Te. Ar1 and Ar2 are independently (C6-C50)aryl. Ar1—Y1—R3— and Ar2—Y2—R4— are not identical. Each Z1 is independently selected from Cl, Br, and I.