125971-86-0

Basic information

• Product Name: tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
• Synonyms: tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
• CAS NO: 125971-86-0
• Molecular Formula: C₁₄H₂₇NO₄
• Molecular Weight: 273.37
• Mol File: 125971-86-0.mol
• Article Data: 25

Chemical Properties

• Appearance: /
• CAS DataBase Reference: tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate(125971-86-0)
• EPA Substance Registry System: tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate(125971-86-0)

Safety Data

• Hazardous Substances Data: 125971-86-0(Hazardous Substances Data)

Upstream product

• 1331869-21-6 tert-butyl 2-((4R,6R)-6-(2-(benzyloxy)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate 
• 1173184-84-3 tert-butyl 2-[(4R,6R)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate 
• 1331869-22-7 tert-butyl 2-((4R,6R)-2,2-dimethyl-6-(2-(tosyloxy)ethyl)-1,3-dioxan-4-yl)acetate 
• 950513-91-4 (R)-tert-butyl 5-hydroxy-3-oxoocto-7-enoate 
• 181272-46-8 (2R)-1-cyano-2-hydroxy-4-pentene 
• 74530-57-7 tert-butyl 4-bromoacetoacetate 
• 154026-94-5 (4R-cis)-6-(chloromethyl)-2,2-dimethyl-1,3-dioxane-4-acetic acid,1,1-dimethylethyl ester 
• 74530-56-6 tert-butyl 4-chloroacetoacetate 
• 125971-93-9 (3R,5R)-tert-butyl-6-cyano-3,5-dihydroxyhexanoate 
• 109462-44-4 (R)-3-hydroxy-5-hexenoic acid methyl ester 

Downstream Products

• 125971-95-1 tert-butyl (4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate 
• 125995-03-1 atorvastatin lactone 
• 867308-86-9 1-[2-((4R,6R)-6-tert-butoxycarbonylmethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-ethyl]-2-(4-fluoro-phenyl)-5-isopropyl-1H-imidazole-4-carboxylic acid benzyl amide 
• 936756-73-9 [(4R,6R)-6-(2-{2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-(tetrahydropyran-2-yl-oxymethyl)phenylamino)carbonyl]pyrrol-1-yl}ethyl)-2,2-dimethyl-[1,3]-dioxan-4-yl]-acetic acid tert-butyl ester 
• 1105067-91-1 tert-butyl (4R,6R)-6-{2-[2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate 
• 1303969-87-0 C₃₁H₄₃N₅O₄ 
• 1303969-83-6 C₃₁H₄₁N₅O₅ 
• 134523-00-5 atorvastatin 
• 134523-03-8 lipitor 
• 1071147-05-1 C₃₁H₄₀FN₃O₅ 
• 867304-09-4 1-[2-((4R,6R)-6-tert-Butoxycarbonylmethyl-2,2-dimethyl[1,3]dioxan-4-yl)-ethyl]-2-(4-fluoro-phenyl)-5-isopropyl-1H-imidazole-4-carboxylic acid 
• 501121-34-2 (-)-Atorvastatin 
• 581772-29-4 2-((4R,6R)-6-(2-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid 

Relevant articles and documents

Sequential aldol condensation catalyzed by DERA mutant Ser238Asp and a formal total synthesis of atorvastatin

A mutant D-2-deoxyribose-5-phosphate aldolase (DERA), Ser238Asp, was used to prepare β-hydroxy-δ-lactol synthons and a key intermediate for atorvastatin synthesis.

Spectroscopic characterization and quantitative determination of atorvastatin calcium impurities by novel HPLC method

Seven process related impurities were identified by LC-MS in the atorvastatin calcium drug substance. These impurities were identified by LC-MS. The structure of impurities was confirmed by modern spectroscopic techniques like 1H NMR and IR and physicochemical studies conducted by using synthesized authentic reference compounds. The synthesized reference samples of the impurity compounds were used for the quantitative HPLC determination. These impurities were detected by newly developed gradient, reverse phase high performance liquid chromatographic (HPLC) method. The system suitability of HPLC analysis established the validity of the separation. The analytical method was validated according to International Conference of Harmonization (ICH) with respect to specificity, precision, accuracy, linearity, robustness and stability of analytical solutions to demonstrate the power of newly developed HPLC method.

Atorvastatin calcium intermediate as well as preparation method and application thereof

The invention discloses an atorvastatin calcium intermediate as well as a preparation method and application thereof. A synthesis process of the intermediate is environmentally-friendly, simple to operate and low in EHS risk; raw materials are easy to obtain; a used chemical reagent is small in toxicity and low in cost; and the synthesis process is a green synthesis process suitable for the industrial production. Moreover, the intermediate provided by the invention is applied to the synthesis of atorvastatin calcium and a key intermediate thereof, the route is relatively short, the yield is high, the industrial production cost of the atorvastatin calcium is effectively reduced, and the atorvastatin calcium intermediate has a relatively high industrial application prospect.

A atorvastatin sandbank calcium chiral synthesis of intermediates method

The invention discloses a synthesis method for a chiral intermediate of atorvastatin calcium, and belongs to the technical field of medical intermediate synthesis. The synthesis method is characterized in that according to the process route, not only are dangerous, highly toxic and expensive chemicals such as butyl lithium, editpotassium cyanide and periodic acid in chemical synthesis prevented from being used, but also an ee value of the chiral intermediate is effectively improved due to usage of a mixed chiral catalysts of titanium iso-propylate and S-xenol. According to the synthesis method, the raw materials are low in cost and easy to obtain, the route operation is easy, the repeatability is good, the yield is very high, and the synthesis method is suitable for industrial production.