1378943-63-5

Basic information

• Product Name: C₂₉H₄₀FN₃O₆S
• CAS NO: 1378943-63-5
• Molecular Weight: 577.718
• Mol File: 1378943-63-5.mol
• Article Data: 37

Chemical Properties

• CAS DataBase Reference: C₂₉H₄₀FN₃O₆S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₉H₄₀FN₃O₆S(1378943-63-5)
• EPA Substance Registry System: C₂₉H₄₀FN₃O₆S(1378943-63-5)

Safety Data

• Hazardous Substances Data: 1378943-63-5(Hazardous Substances Data)

Usage

Description

C₂₉H₄₀FN₃O₆S, also known as tert-Butyl-2-((4S,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, is a complex organic compound with a molecular formula indicating the presence of carbon, hydrogen, fluorine, nitrogen, oxygen, and sulfur atoms. It is a synthetic intermediate used in the development of various pharmaceuticals and chemicals.

Uses

Used in Pharmaceutical Industry:
C₂₉H₄₀FN₃O₆S is used as a synthetic intermediate for the development of new pharmaceutical compounds. Its unique structure and functional groups make it a valuable building block in the synthesis of various drugs, potentially leading to the creation of novel therapeutic agents.
Used in Chemical Industry:
In the chemical industry, C₂₉H₄₀FN₃O₆S can be utilized as a starting material or intermediate in the synthesis of other complex organic molecules. Its diverse functional groups and structural features allow for further chemical modifications and reactions, enabling the production of a wide range of specialty chemicals and materials.

Upstream product

• 124752-23-4 tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 956034-92-7 N-{4-(4-fluorophenyl)-6-isopropyl-5-[(1-methyl-1H-benzo[d]imidazol-2-ylsulfonyl)methyl]pyrimidin-2-yl}-N-methylmethanesulfonamide 
• 853066-73-6 tributyl[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-ylmethyl]phosphonium bromide 
• 894787-92-9 N-(5-bromo-4-(4-fluorophenyl)-6-isopropylpyriinidin-2-yl)-N-methylmethanesulfonamide 
• 153968-96-8 tert-butyl 2-((4R,6S)-2,2-dimethyl-6-vinyl-1,3-dioxan-4-yl)acetate 
• 289042-10-0 N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide 
• 1207460-27-2 tert-butyl 2-((4R,6S)-6-((E)-2-(4-(4'-fluorophenyl)-6-isopropyl-2-(methylamino)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 
• 124-63-0 methanesulfonyl chloride 
• 125517-63-7 1,1-Dimethylethyl 6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate 
• 1210451-27-6 N-{4-(4-fluorophenyl)-6-isopropyl-5-[(pyridin-2-ylsulfonyl)methyl]pyrimidin-2-yl}-N-methylmethanesulfonamide 
• 1210451-28-7 N-[5-(3,5-bis-trifluoromethyl-benzenesulfonyl methyl)-4-(4-fluoro-phenyl)-6-isopropyI-pyrimidin-2-yI]-N-methyl-methanesulfonamide 
• 147118-36-3 N-[4-(4-fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 799842-07-2 N-[5-(bromomethyl)-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 956034-90-5 N-((5-(1H-benzo[d]imidazol-2-ylthio)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methyimethanesulfonamide 

Downstream Products

• 1094100-06-7 (E)-(3R,5R)-7-[4-(4-fluoro-phenyl)-6-isopropyl-2-(methanesulfonyl-methyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid 
• 1714147-49-5 C₂₉H₄₂FN₃O₇S 
• 1374771-97-7 (3R,55,6E)-7-[4-(4-fluorophenyl)-2-(N-(methyl)methanesulfonamide)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid lysine salt 
• 1374771-99-9 rosuvastatin arginine salt 

Relevant articles and documents

Rosuvastatin intermediate, preparation method of intermediate and preparation method of rosuvastatin ester

The invention relates to a rosuvastatin intermediate, a preparation method of the intermediate and a preparation method of rosuvastatin ester, and provides a novel rosuvastatin intermediate compound, namely, N-(5-(((1-benzyl-1H-benzo [d] imidazole-2-yl)-sulfone)-methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidine-2-yl)-N-methylmethanesulfonamide. The rosuvastatin intermediate can be used for synthesizing rosuvastatin ester, under the influence of the self structure of the rosuvastatin intermediate, when the rosuvastatin ester is synthesized, a substitution reaction can be carried out firstly, and then an oxidation reaction is carried out, and the generation of impurities in the reaction process is reduced, so that the reaction can be carried out through a 'one-step method', the synthesis process steps are greatly simplified, and the industrial production of the rosuvastatin ester is favorably realized.

Preparation method of rosuvastatin calcium

The invention belongs to the technical field of medicinal chemistry, and particularly relates to a preparation method of rosuvastatin calcium. The preparation method comprises steps: in an inert atmosphere protection environment, a specific compound is used as a raw material and is reacted under the action of a dilute acid reagent to obtain a hydroxyl protecting group-removed compound; esterolysisis carried out under the action of an alkaline reagent to obtain rosuvastatin sodium; and concentrating is carried out, a proper amount of water is added, the pH value is adjusted to 3-4 by using anacid, extracting is carried out, an obtained organic layer is cooled and crystallized to obtain a rosuvastatin white solid, the white solid is dissolved in pure water, the pH value is adjusted to 8-9by using an alkali, and reacting with a calcium salt aqueous solution is carried out to obtain rosuvastatin calcium with the purity of 99.5% or above and the impurity content of less than 0.1%.

Recycling method of 1-phenyl-5-hydroxytetrazole

The invention discloses a recycling method of 1-phenyl-5-hydroxytetrazole, and belongs to the technical field of medicinal chemistry. The preparation method comprises the following steps: a byproduct1-phenyl-5-hydroxytetrazole generated in preparation process of a rosuvastatin calcium intermediate is converted into 1-phenyl-5-mercaptotetrazole; and meanwhile, the 1-phenyl-5-mercaptotetrazole is further used for preparing a rosuvastatin calcium intermediate or rosuvastatin calcium. According to the method disclosed by the invention, reasonable recycling of the byproduct 1-phenyl-5-hydroxytetrazole is realized, the raw materials are fully utilized, the production cost of rosuvastatin calcium and the intermediate thereof is reduced, and the emission of three wastes is reduced.