CAS: 140710-98-1; (6R)-6-((1R,3As,7Ar)-4-((E)-2-((3S,5R)-3,5-Bis(Tert-Butyldimethylsilyloxy)-2-Methylenecyclohexylidene)Ethyl)-7A-Methyloctahydro-1H-Inden-1-yl)-2-Methylheptan-2-Ol

该化合物是一个复杂的有机化合物,其独特的分子结构包括一个具有多种双环和氢氧基的类固醇主干,其存在表明,它已经经过修改,以增强其稳定性和溶性,使之适合有机合成和可能医药中的各种应用,该产品是类固生物家族的一部分,以其生物意义而著称,包括细胞膜结构和信号的作用.其具体的立体化学学,以1,3,5E,7E)配置为标志,表明其原子的特定空间安排能够影响其再活动及其与生物系统的互动.化学文摘社编号140710-98-1为该物质提供了一个独特的识别特征,便于在化学数据库和文献中识别该物质.总的来说,该化合物体现了类固态衍生物的复杂性质及其在科学研究中的潜在用途.

英文名称(6R)-6-((1R,3As,7Ar)-4-((E)-2-((3S,5R)-3,5-Bis(Tert-Butyldimethylsilyloxy)-2-Methylenecyclohexylidene)Ethyl)-7A-Methyloctahydro-1H-Inden-1-yl)-2-Methylheptan-2-Ol
中文名称(R)-6-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-双((叔丁基二甲基硅烷基)氧基)-2-亚甲基亚基)亚乙基)-7a-甲基-1H-茚-1-基)-2-甲基庚-2-醇
IUPAC名称(6R)-6-((1R,3aS,7aR)-4-((E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethyl)-7a-methyloctahydro-1H-inden-1-yl)-2-methylheptan-2-ol
其它别名(6R)-6-((1R,3As,7Ar)-4-((E)-2-((3S,5R)-3,5-Bis(Tert-Butyldimethylsilyloxy)-2-Methylenecyclohexylidene)Ethyl)-7A-Methyloctahydro-1H-Inden-1-yl)-2-Methylheptan-2-Ol; Bis-Tbdms-Trans-Calcitriol; (R)-6 - ((1R,3As,7Ar,E)-4 - ((E)-2 - ((3S,5R)-3,5-; 1,3-Bi-Tbs-Trans-Calcitriol; Calcitriol Impurity 13; (1S,3R,5Z,8ξ)-1,3-Bis{[dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-9, 10-Secocholesta-5,10-Dien-25-Ol; 9,10-Secocholesta-5,7,10(19)-Trien-25-Ol, 1,3-Bis[[(1,1-Dimethylethyl)Dimethylsilyl]Oxy]-, (1α,3β,5E,7E)- (9Ci)
CAS编号140710-98-1
MFCD编号:MFCD10574889
分子式:C39H74O3Si2
分子量:647.19
产品CID: 626528
产品分类有机原料→分子砌块→脂肪环类化合物→环己烷类化合物

相似结构搜索
InChIKey: HAYVDHBKYABBBI-BDMAXPRUSA-N
InChI=1S/C39H74O3Si2/c1-28(18-16-24-38(9,10)40)33-22-23-34-30(19-17-25-39(33,34)11)20-21-31-26-32(41-43(12,13)36(3,4)5)27-35(29(31)2)42-44(1…
计算化学: 氢键受体数3.0氢键供体数1可旋转键数10

相似化合物

140710-96-9 66791-71-7 73837-24-8

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

上下游产品

methylmagnesium bromide -9,10-seco-26,27-bisnorcholesta-5(E),7(E),10(19)-trien-25-oateethyl (1S),3(R)-bis(tert-butyldimethylsilyl)oxy-9,10-seco-26,27-bisnorcholesta-5(E),7(E),10(19)-trien-25-oate 2 adducts of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene(6S)- and (6R)-SO2 adducts of 1(S),3(R)-bis(tert-butyldimethylsilyloxy)-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene -20(S)-(hydroxymethyl)-9,10-secopregna-5(E),7(E),10(19)-triene(1S),3(R)-bis(tert-butyldimethylsilyl)oxy-20(S)-(hydroxymethyl)-9,10-secopregna-5(E),7(E),10(19)-triene -9,10-sec°Cholesta-5(Z),7(E),10(19)-trien-25-ol(1S),3(R)-bis(tert-butyldimethylsilyl)oxy-9,10-sec°Cholesta-5(Z),7(E),10(19)-trien-25-ol (19)-triene-1,3,25-triol(1S),3(R)-9,10-sec°Cholesta-5(E),7(E),10(19)-triene-1,3,25-triol calcitriol

合成工艺路线路线简述

(1S),3(R)-Bis<(Tert-Butyldimethylsilyl)Oxy>-20(S)-(Hydroxymethyl)-9,10-Secopregna-5(E),7(E),10(19)-Triene So2 Adduct置于咪唑,碘,碳酸氢钠,三苯基膦,Nickel Dichloride,锌体系中,用四氢呋喃,吡啶,乙醇,二氯甲烷用作溶剂,化学反应 16.5H,反应生成骨化三醇中间体
参考文献:Nickel-Mediated Conjugate Addition. Elaboration Of Calcitriol From Ergocalciferol
标题:Nickel-Mediated Conjugate Addition. Elaboration Of Calcitriol From Ergocalciferol
摘要:
Doi:10.1021/jo00125A051