tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate CAS NO.289042-12-2

1. product basic information table

 2. nature

6-[(1E)-2-[4-(4-fluorophenyl) -6-isopropyl-2-[methyl (methylsulfonyl) amino]-5-pyrimidine] vinyl]-2,2-dimethyl -1, 3-dioxane-4-acetic acid tert-butyl ester is a complex organic compound containing pyrimidine ring, fluorophenyl, isopropyl, methanesulfonylamino, and tert-butyl dioxane acetate structural fragments. The molecule has a clear chiral center (4R,6S configuration), and contains a characteristic (E)-vinyl bridge structure, connecting the pyrimidine core and the dioxane side chain. Its solid state is a white to off-white crystalline powder with a melting point of about 153-155°C and a high thermal stability (flash point> 360°C). The compound is slightly soluble in conventional organic solvents such as chloroform and methanol, and the solubility in water is extremely low. Because its structure contains functional groups sensitive to air and moisture, it needs to be sealed and stored in a low temperature environment of 2-8°C under the protection of an inert atmosphere (such as nitrogen or argon) to prevent degradation or deterioration.

3. uses

this product is a core advanced intermediate for the synthesis of rosuvastatin calcium (Rosuvastatin Calcium). Rosuvastatin calcium is a highly efficient selective HMG-CoA reductase inhibitor, which belongs to the third generation of statin lipid-lowering drugs. It was developed by Japan's Shirosuvastatin Pharmaceutical Co., Ltd. in the late 1980 s, and then further developed and promoted by AstraZeneca in the world. It was listed in 2003 and listed in China in 2006.

As a key docking compound (Key Coupling Intermediate) in the synthesis route of rosuvastatin calcium, this intermediate condenses pyrimidine aldehyde fragment with phosphorus-containing ylide reagent through carbon-carbon bond formation reactions such as Wittig reaction or Horner-Wadsworth-Emmons reaction to construct the carbon skeleton structure of rosuvastatin mother nucleus. The final product rosuvastatin calcium can be obtained by subsequent steps such as deprotection, chiral reduction and salt formation. Therefore, the quality, purity and chiral purity of the intermediate directly determine the quality of the final API, and is an indispensable key material in the industrial production of rosuvastatin calcium.

4. safety information

this product is a Warning (warning) class chemical in the GHS hazard classification. The main risk categories include: acute toxicity (category 4, oral route), skin corrosion/irritation (category 2), severe eye injury/eye irritation (category 2A), and specific target organ toxicity-single exposure (category 3, respiratory irritation). According to the German WGK classification, this product is a slight hazard to water bodies (WGK Germany 3) and should be classified as a class 13 non-combustible solid when stored.

During the operation, the operation must be carried out in a well-ventilated area. The operator should wear protective gloves, goggles and dust mask, strictly avoid inhaling dust, contact with skin and eyes, and wash hands thoroughly after the operation. In the event of a leak, the leak should be collected in a clean and dry container in a timely manner, and inert adsorbent materials should be used to absorb the residue, and care should be taken to avoid the spread of dust. All waste must be disposed of in accordance with local regulations.

In terms of waste disposal, it must be handled in strict accordance with national and local regulations on hazardous waste, and it is strictly forbidden to discharge the product or its waste into sewers or the natural environment. In case of fire emergency, dry powder, carbon dioxide or appropriate foam extinguishing agent can be used for fire fighting. Firefighters should wear self-contained breathing equipment and a full set of protective equipment to ensure personal safety.

5. our production advantages and capacity

as a modern enterprise focusing on the research and development and production of statins and advanced pharmaceutical intermediates, our company has the following core advantages in the production of rosuvastatin calcium intermediate R-1(CAS: 289042-12-2):

1. Mature process route and quality control system Our company adopts the Wittig condensation-chiral construction synthesis route verified by industrialization, starting from key starting materials such as 4-(4-fluorophenyl)-6-isopropyl -2-[(N-methyl-N-methylsulfonyl) amino] pyrimidine -5-formaldehyde, and through strict process parameter control, to ensure that the product has excellent regional selectivity and stereoselectivity.

2. Large-scale production capacity and stable supply Our company has a perfect multi-functional production workshop and advanced reaction equipment, with an annual production capacity of XX tons (which can be expanded according to customer demand), which can meet the whole chain demand from laboratory small-scale test, pilot scale-up to commercial large-scale production. We have established sufficient strategic inventory of starting materials and key intermediates to ensure a stable supply chain and provide customers with long-term, continuous, batch-based and stable supply.

3. Flexible customized services and cost advantages In addition to standard specifications, our company can provide customized products with different purity levels (≥ 98%, ≥ 99%), special crystal forms and specific particle size distribution according to customer requirements. Through process optimization and supply chain integration, we provide customers with a competitive price advantage while ensuring high quality.

4. Professional technical team and rapid response Our company has experienced organic synthesis, analysis and testing, process safety and registration regulations team, which can provide customers with one-stop service from technical consultation, sample provision, process transfer, scale-up production to after-sales support, with rapid response and efficient communication.

For samples, quotations or technical information, please feel free to contact us. We look forward to becoming your trusted partner in the Rosuvastatin calcium industry chain!