MARKETPLACE FOR ENABLING SUSTAINABLE CHEMISTRY PRODUCTION PROCESSES

Abstract

A method and a respective system for performing a chemical synthesis via a computer by Defining an organic target molecule of the chemical synthesis to be produced in the chemical production plant; Providing information describing the organic target molecule to a software-based platform being hosted by a computer connected to a network, wherein the platform holds inventories of chemical suppliers and the inventories contain information about synthetic reagents needed for the chemical synthesis; Routing the chemical synthesis via the computer, wherein the computer checks the inventories of the platform for the synthetic reagents to perform the chemical synthesis by comparing the information describing the organic target molecule and the information in the inventories and connects those chemical suppliers to the chemical production plant which provide synthetic reagents according to the compared information; and Producing the desired organic target molecule in the chemical production plant.

Claims

1. A method for performing a chemical synthesis via a computer comprising the following steps: Defining a desired organic target molecule of the chemical synthesis to be produced in the chemical production plant; Providing information describing the desired organic target molecule to a software-based platform being hosted by a computer connected to a network, wherein the platform holds inventories of chemical suppliers and the inventories comprises of information about synthetic reagents, like by-products and/or waste, needed for the chemical synthesis; Routing the chemical synthesis via the computer, wherein the computer checks the inventories of the platform for the necessary synthetic reagents to perform the chemical synthesis to produce the target molecule by comparing the information describing the desired organic target molecule and the information in the inventories and connects those chemical suppliers to the chemical production plant which provide the most suitable synthetic reagents according to the compared information; Producing the desired organic target molecule in the chemical production plant with the provided synthetic reagents from the chemical suppliers chosen by the computer of the software-based platform.

2. The method of claim 1, wherein the defining of the target molecule, providing its information and organizing the production with the provided most suitable synthetic reagents from the chosen chemical suppliers is done either by at least one assigned user and/or by an automated system of the chemical production plant.

3. The method of claim 1, wherein the routing the chemical synthesis via the computer is done by providing additional information about specific required synthetic reagents needed for the chemical synthesis which are then searched for in the platform inventory by the computer of the platform or by creating new synthetic routes to the target molecule that prioritize specified synthetic reagents as starting materials, that are available in the platform inventory.

4. The method of claim 1, wherein as the software-based platform an online marketplace platform is used where industry customers can register as chemical suppliers or operators of chemical production plants and upload the inventories listing their by-products and/or waste which can be used as synthetic reagents for the chemical synthesis.

5. The method of claim 4, wherein operators of chemical production plants can set reminders for required synthetic reagents which are not available yet by the registered chemical suppliers and the computer of the software-based platform informs the operators if the required synthetic reagents become available.

6. The method of claim 1, wherein the information describing the target molecule and the information in the inventories comprises of chemical features of the synthetic reagents like chemical structures, CAS-numbers, chemical classes, amount and volumes of the synthetic reagents available and the type of presentation which can be either characterized, purified or blended.

7. A System (12) for performing chemical synthesis comprising a service computer connected to a network and hosting a software-based platform, a chemical production plant with at least one control computer connected to the network, wherein the system is configured to perform the following method steps: Defining a desired organic target molecule of the chemical synthesis to be produced in the chemical production plant; Providing information describing the desired organic target molecule to the software-based platform, wherein the platform holds inventories of chemical suppliers and the inventories comprises of information about synthetic reagents, like by-products and/or waste, needed for the chemical synthesis; Routing the chemical synthesis via the service computer, wherein the service computer checks the inventories of the platform for the necessary synthetic reagents to perform the chemical synthesis to produce the target molecule by comparing the information describing the desired organic target molecule and the information in the inventories and connects those chemical suppliers to the chemical production plant which provide the most suitable synthetic reagents according to the compared information; Producing the desired organic target molecule in the chemical production plant via the at least one control computer by using the provided synthetic reagents from the chemical suppliers connected by the service computer of the software-based platform.

8. A Computer program comprising instructions which cause the involved computers to carry out the following method steps: Defining a desired organic target molecule of the chemical synthesis to be produced in the chemical production plant; Providing information describing the desired organic target molecule to a software-based platform being hosted by a computer connected to a network, wherein the platform holds inventories of chemical suppliers and the inventories comprises of information about synthetic reagents, like by-products and/or waste, needed for the chemical synthesis; Routing the chemical synthesis via the computer, wherein the computer checks the inventories of the platform for the necessary synthetic reagents to perform the chemical synthesis to produce the target molecule by comparing the information describing the desired organic target molecule and the information in the inventories and connects those chemical suppliers to the chemical production plant which provide the most suitable synthetic reagents according to the compared information; Producing the desired organic target molecule in the chemical production plant with the provided synthetic reagents from the chemical suppliers chosen by the computer of the software-based platform.

9. A Computer-readable storage medium and/or data carrier signal having stored thereon the computer program of claim 8 which cause the involved computers to carry out the following method steps: Defining a desired organic target molecule of the chemical synthesis to be produced in the chemical production plant; Providing information describing the desired organic target molecule to a software-based platform being hosted by a computer connected to a network, wherein the platform holds inventories of chemical suppliers and the inventories comprises of information about synthetic reagents, like by-products and/or waste, needed for the chemical synthesis; Routing the chemical synthesis via the computer, wherein the computer checks the inventories of the platform for the necessary synthetic reagents to perform the chemical synthesis to produce the target molecule by comparing the information describing the desired organic target molecule and the information in the inventories and connects those chemical suppliers to the chemical production plant which provide the most suitable synthetic reagents according to the compared information; Producing the desired organic target molecule in the chemical production plant with the provided synthetic reagents from the chemical suppliers chosen by the computer of the software-based platform.

Description

BRIEF DESCRIPTION OF SEVERAL VIEWS OF THE DRAWINGS

[0017] FIG. 1: a schematic overview about the involved system components

[0018] FIG. 2: a general overview about the necessary method steps

[0019] FIG. 3: an exemplary organic target molecule of a chemical synthesis

DETAILED DESCRIPTION OF THE INVENTION

[0020] The invention will be explained in more detail by presenting a preferred exemplary embodiment which disclose preferred ways to perform the invented method for performing a green chemical synthesis.

[0021] The invented system which performs the invented method, including the software-based marketplace 3 is shown in FIG. 1. It comprises of an inventory server, usually realized via a kind of computer which is suitable for being used as a server, which hosts an application programming interface (API). This API enables users 6, 10 for the marketplace 3, on the one hand chemical by-product suppliers 6 and on the other hand chemical manufacturers 10, to get a specific access to the marketplace realized via the inventory server. For the suppliers 6 a specific Inventory Deposition Interface (IDI) provides access, e.g. in form a suitable Graphical User Interface (GUI). Another option is that the IDI provides just a mere data exchange interface so the suppliers 6 can connect to the IDI with their own ERP tools on their own computers. It is also possible that both GUI and ERP interface are provided. The manufacturer clients can access the marketplace with their respective computers via a Marketplace Browsing Interface (MBI), which preferably uses a GUI. Those clients can be further supported by specific consultants who are Designers of Separation and Purification Services. As previously explained the system components can also differ from embodiment to embodiment. Especially the kind of involved computers can differ greatly, depending on how much of the steps is performed by human users with the help of computers and application software or done automatically by specific computers using for instance Al based software algorithms.

[0022] FIG. 2 shows now a generalized overview about the necessary method steps in all possible preferred embodiment. The steps itself are performed divergent in every exemplary embodiment dependent on the different conditions. First a target molecule 1 which a user (manufacturer) 10 wants to produce with the respective chemical synthesis needs to be defined by this manufacturer 10. To do so the manufacturer 10 also needs to provide specific molecule information 2. With this information 2 the Marketplace 3 checks the inventories 4 of all registered suppliers 6 if they have reagents 5 available which are required for the specific synthesis which the manufacturer 10 wants to perform to produce the target molecule 1. That step can also include in another specific embodiment that the marketplace 3 automatically and/or supported by the specific consultants determines an alternative synthesis process which also produces the target molecule 1, but with different, available reagents 5. This is especially preferred if the required reagents 5 for the original synthesis are not available in the registered suppliers inventory 4. When the required reagents 5 have been found in the inventory 4, the marketplace 3 establishes a connection 7 between the user 10 and a suitable supplier 6. The manufacturer 10 can then acquire the respective reagents 5 from the supplier 6 and use the provided reagents 8 in the synthesis process to produce the target molecule 1, 9.

[0023] FIG. 3 discloses now a specific example of the described preferred method about how the Marketplace can be used to find uses for chemical waste by-products as starting materials, meaning the required reagents 5, for high-value chemicals, the target molecules 1, via new synthetic routes. In this example, hydroxyacetaldehyde (CAS: 141-46-8) is a waste component that was added to the inventory database 4 as a possible starting material 5. Retrosynthesis search for two different Cerilliant products, a) alpha-hydroxyetizolam (CAS: 64546-10-7) and b) 5-beta-Hydroxy Lurasidone produced routes starting from the inventory compound glycolaldehyde.

LIST OF REFERENCES

[0024] 1 Target Molecule [0025] 2 Molecule Information [0026] 3 Digital platform [0027] 4 Supplier Inventories [0028] 5 Reagents [0029] 6 Supplier [0030] 7 Supplier-Reagent-Connection [0031] 8 Provided reagents [0032] 9 Produced Target Molecule [0033] 10 Manufacturer