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(4R-cis)-6-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯
(4R,6R)-tert-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
化合物简介
(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester is an intermediate of Atorvastatin (A791750, Ca salt), a selective, competitive HMG-CoA reductase . Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.
基本信息
CAS:125971-94-0
中文别名:(4R,6R)-6-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯;(4R,6R)-6-氰甲基-2,2-二甲基-1,3-二氧己环-4-醋酸叔丁酯;(4R,6R)-2,2-二甲基-6-氰甲基-1,3-二氧六环-4-乙酸叔丁酯;6-氰甲基-2,2-二甲基-1,3-二氧戊环-乙酸叔丁酯;
英文别名:ATS-8;(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester;tert-Butyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxolane-4-acetate;(4R-cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl (4R,6R)-6-CyanoMethyl-2,2-diMethyl-1,3-dioxane-4-acetate;
分子式:C14H23NO4
分子量:269.337
精确质量:269.163
Psa:68.55
Logp:2.54208
中文别名:(4R,6R)-6-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯;(4R,6R)-6-氰甲基-2,2-二甲基-1,3-二氧己环-4-醋酸叔丁酯;(4R,6R)-2,2-二甲基-6-氰甲基-1,3-二氧六环-4-乙酸叔丁酯;6-氰甲基-2,2-二甲基-1,3-二氧戊环-乙酸叔丁酯;
英文别名:ATS-8;(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester;tert-Butyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxolane-4-acetate;(4R-cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate;tert-Butyl (4R,6R)-6-CyanoMethyl-2,2-diMethyl-1,3-dioxane-4-acetate;
分子式:C14H23NO4
分子量:269.337
精确质量:269.163
Psa:68.55
Logp:2.54208
编号系统
EINECS号:603-105-5
物化性质
外观与性状:白色至淡黄色晶体粉末
密度:1.016 g/cm3
沸点:364.1ºC at 760 mmHg
熔点:65-69°C(lit.)
闪点:159.2ºC
折射率:1.439
蒸汽压:1.73E-05mmHg at 25°C
密度:1.016 g/cm3
沸点:364.1ºC at 760 mmHg
熔点:65-69°C(lit.)
闪点:159.2ºC
折射率:1.439
蒸汽压:1.73E-05mmHg at 25°C
安全信息
安全说明:S24/25
WGK Germany:3
海关编码:2932999099
WGK Germany:3
海关编码:2932999099
生产方法及用途
用途
用作药品阿伐他汀中间体
用作药品阿伐他汀中间体
合成路线
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参考文献
Kaneka Corporation Patent: US6344569 B1, 2002 ; Location in patent: Page column 13 ;
上游原料
下游产品
图谱
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