289042-12-2

Basic information

• Product Name: 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
• Synonyms: 6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester; Rosuvastatin calcium intermediate R-2; 1,3-Dioxane-4-acetic acid,6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6S)-; tert-butyl {(4R,6S)-6-[(E)-2-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetate; 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; (4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester; R-1; R 1; tert-Butyl 6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methyl sulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-
• CAS NO: 289042-12-2
• Molecular Formula: C₂₉H₄₀FN₃O₆S
• Molecular Weight: 577.7078
• Mol File: 289042-12-2.mol
• Article Data: 30

Chemical Properties

• Boiling Point: 673.348°C at 760 mmHg
• Flash Point: 361.028°C
• Density: 1.211g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.545
• Storage Temp.: Inert atmosphere,2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: -0.43±0.10(Predicted)
• CAS DataBase Reference: 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 DataBase Reference)
• NIST Chemistry Reference: 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(289042-12-2)
• EPA Substance Registry System: 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(289042-12-2)

Safety Data

• Hazardous Substances Data: 289042-12-2(Hazardous Substances Data)

Usage

Chemical Properties

White Solid

Uses

(4R,6S)-6-[(1E)-2-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester (Rosuvastatin EP Impurity F) is a Rosuvastatin (R700500) intermediate as HMG-CoA reductase inhibitor.

Upstream product

• 289042-10-0 N-(5-((diphenylphosphoryl)methyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl)-N-methylmethanesulfonamide 
• 124752-23-4 tert-butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 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 
• 124655-09-0 1,1-dimethylethyl (4R-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetate 
• 1221497-92-2 dimethyl [4-(4-fluorophenyl)-6-isopropyl-2-[methyl (methylsulfonyl) amino]pyrimidine-5-ylmethyl]phosphonate 
• 1344117-75-4 N-[4-(4-fluorophenyl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide 
• 1344117-76-5 [4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]methyl diphenyl phosphate 
• 1344117-77-6 N-[4-(4-fluorophenyl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfonyl]methyl}-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethane sulfonamide 
• 407577-54-2 tert-butyl 2,4-dideoxy-3,5-O-(1-methylethylidene)-D-erytro-hexonate 
• 141942-89-4 tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(4-nitrophenylsulfonyloxy)methyl]-1,3-dioxan-4-yl]acetate 
• 147118-37-4 N-[4-(4-fluorophenyl)-5-formyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide 
• 925421-83-6 5-(methanesulfonyl)methyl-4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidine 

Downstream Products

• 355805-96-8 rosuvastatin methylamine salt 
• 894787-93-0 {(4R,6S)-6-[(E)-2-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}vinyl]-2,2-dimethyl-1,3-dioxan-4-yl}acetic acid 
• 1207460-30-7 [(4R,6S)-6-{(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]ethenyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate 1,1-dimethylethylammonium 
• 851440-19-2 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(isopropyl)pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid methyl ester 
• 147118-40-9 (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3R,5S)-3,5-dihydroxyhept-6-enoic acid methyl ester 
• 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 
• 1422619-13-3 7-[4-(4-fluorophenyl)-6-isopropyl-2(N-methyl-N-methanesulfonamido)pyrimidin-5-yl]-(3R)-3-hydroxy-5-carbonyl-6-(E)-heptenoic 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 
• 917805-74-4 (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid-2-methylpropan-2-amine 
• 1379688-00-2 rosuvastatin ethanolamine 

Relevant articles and documents

Rosuvastatin calcium intermediate compound

The invention belongs to the field of organic chemistry, and discloses a rosuvastatin calcium intermediate compound, a synthesis method thereof and application thereof in preparation of rosuvastatin calcium. The preparation method of the rosuvastatin calcium intermediate compound comprises the following specific steps: (1) reacting a compound III with 5-mercapto-1-phenyltetrazole under the actionof an organic alkali to obtain a compound II; (2) reacting the compound II with an oxidant to obtain a compound I crude product. The prepared rosuvastatin calcium intermediate compound I is novel in structure, short in synthesis route, mild in reaction conditions, high in yield and convenient in after-treatment. The compound I reacts with a rosuvastatin side chain, the reaction conditions are mild, the yield and purity of the product are high, and the method has a good industrial prospect.

Rosuvastatin calcium impurity and method for controlling quality of rosuvastatin calcium

The invention provides a rosuvastatin calcium unknown impurity and a preparation method thereof, and further provides a method for controlling the content of the rosuvastatin calcium impurity. According to the method for controlling the content of the rosuvastatin calcium impurity, the content of the impurity is controlled by controlling the content of a compound shown in formula (RC) in an R1 compound. The invention further provides a method for controlling the quality of rosuvastatin calcium by controlling the content of the rosuvastatin calcium impurity.

A statin intermediate and its derivatives

The invention discloses a preparation method of a statin intermediate and derivatives thereof. The preparation method comprises the steps of: preparing to obtain a compound in a formula (II) through oxidation reaction among a compound in a formula IV, DMSO (dimethylsulphoxide) and alkali in the existence of an alkali metal salt catalyst, and obtaining a compound in a formula (I) by base catalysis through condensation of the compound in the formula (II) and a compound in a formula (III), wherein in the formulas, X is halogens, R is substituted or non-substituted alkyl groups of C1-C6 and alkane cyclic groups or aryl groups of C3-C5, substituent groups of R are the aryl groups, and R1 is selected from one or several of the alkyl groups of C1-C6 and the halogens. Compared with the prior art, the preparation method has the advantages that the compound in the formula IV is not esterified and hydrolyzed for preparing alcohol, then aldehyde (compound in the formula II) is prepared through oxidation, and the compound in the formula II is directly prepared from the compound in the formula IV in one step. The preparation method has the advantages of short steps, simple operation and suitability for industrial production.