CAS: 1105067-90-0; Tert-Butyl 2-((4S,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)Acetate

英文名称Tert-Butyl 2-((4S,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)Acetate
中文名称10-反式阿托伐他汀丙酮化物叔丁酯
IUPAC名称tert-butyl 2-((4S,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)acetate
其它别名(3S,5R)-Atorvastatin Acetonide Tert-Butyl Ester; Atorvastatin Acetonide T-Butyl Ester (4S, 6R)-Isomer; 10-Trans-Atorvastatin Acetonide Tert-Butyl Ester; (4S,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1H-Pyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxane-4-Acetic Acid 1,1-Dimethylethyl Ester; Tert-Butyl 2-((4S,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)Acetate; Tert-Butyl 2-[(4S,6R)-6-[2-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-Propan-2-Ylpyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxan-4-Yl]Acetate; Atorvastatin Impurity 25/10-Trans-Atorvastatin Acetonide Tert-Butyl Ester/(4S,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1H-Pyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxane-4-Acetic Acid 1,1-Dimethylethyl Ester; Atorvastatin Calcium-26
CAS编号1105067-90-0
MFCD编号:MFCD12031520
FDA UNII编号:BF49AH4YC8
分子式:C40H47FN2O5分子量:654.82
产品CID: 142186
产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

相似结构搜索
InChIKey: NPPZOMYSGNZDKY-ZWXJPIIXSA-N
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)
计算化学: 氢键受体数6.0氢键供体数1.0可旋转键数12.0

MSDS等安全信息

上下游产品

tert-butyl [(4S,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-yl]acetate 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoic acid phenylamide

合成工艺路线路线简述

合成目标产物 10-Trans-Atorvastatin Acetonide Tert-Butyl Ester 主要起始原料 (4S,Trans)-1,1-Dimethylethyl-6-Aminoethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate And 2-[2-(4-Fluorophenyl)-2-Oxo-1-Phenylethyl]-4-Methyl-3-Oxo-N-Phenylpentanamide
(文献来源)合成步骤主要原料 (4S,Trans)-1,1-Dimethylethyl-6-Aminoethyl-2,2-Dimethyl-1,3-Dioxane-4-Acetate 和 2-[2-(4-Fluorophenyl)-2-Oxo-1-Phenylethyl]-4-Methyl-3-Oxo-N-Phenylpentanamide

📜(4S,Trans)-6-氨乙基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯,阿托伐他汀中间体m4置于三甲基乙酸体系中,用正庚烷,甲苯用作溶剂,化学反应 19.0H,反应生成10-反式阿托伐他汀丙酮化物叔丁酯,(4R-Cis)-6-[2-[2-(4-氟苯基)-5-(1-异丙基)-3-苯基-4-[(苯胺)羰基]-1H-吡咯-1-基]乙基]-2,2-二甲基-1,3-二氧己环-4-乙酸叔丁酯
参考文献:Synthesis Of Some Impurities And/or Degradation Products Of Atorvastatin
标题:Synthesis Of Some Impurities And/or Degradation Products Of Atorvastatin
摘要:阐述了阿托伐他汀钙(3R,5R)-7-[2-(4-氟苯基)-5-异丙基-3-苯基-4-(苯基甲酰氨基)吡咯-1-基]-3,5-二羟基庚酸的一些杂质和/或降解产物的合成.这些包括其去氟类似物,相应的(3S,5S)-和(3S,5R)-对映体,阿托伐他汀内酯和一些其他潜在杂质.合成的化合物以及相应的中间体通过1H NMR,13C NMR和ms进行了表征.
Doi:10.1135/cccc20080229