胆固醇壬酸酯 | 1182-66-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 胆固醇壬酸酯
• 中文别名: 胆甾-5-烯-3-醇(3β)壬酸酯；胆甾醇壬酸酯；胆甾烯基壬酸酯
• 英文名称: cholesteryl pelargonate
• 英文别名: cholesteryl nonanoate；O-nonanoyl-cholesterol；3β-Nonanoyloxy-cholesten-(5)；O-Nonanoyl-cholesterin；Nonansaeure-cholesterylester；cholest-5-ene-3-β-yl nonanoate；[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
• CAS: 1182-66-7
• 化学式: C₃₆H₆₂O₂
• mdl: MFCD00003643
• 分子量: 526.887
• InChiKey: WCLNGBQPTVENHV-MKQVXYPISA-N

物化性质

• 熔点：
  74-77 °C (lit.)
• 比旋光度：
  -30 º (c=2, CHCl3 25 ºC)
• 沸点：
  360 °C
• 密度：
  0.9587 (rough estimate)
• LogP：
  14.108 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• TSCA：
  Yes
• 安全说明：
  S24/25
• WGK Germany：
  3
• 海关编码：
  29159000
• 危险品运输编号：
  OTH

反应信息

• 作为反应物：
  描述：

  胆固醇壬酸酯 在 dioxo(tetramesitylporphyrinato)ruthenium(VI) 氧气 作用下， 以 苯 为溶剂， 反应 24.0h， 以76%的产率得到Nonanoic acid (3S,5S,6R,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-3-yl ester
  参考文献：
  名称：

  A Convenient Synthesis of 5,6β-Epoxides of Some Cholesteryl Esters and Δ⁵-Ketosteroid Derivatives by Catalytic β-Stereoselective Epoxidation

  摘要：

  报道了在四甲基卟啉钌络合物催化剂存在下，空气对一系列胆固醇酯进行环氧化反应的研究。该制备方法仅需加入4至5摩尔%的催化剂，即可实现高转化率（76至94%）和极高β立体选择性（> 99%）。类似的结果也在3β-乙酰氧基雄甾-5-烯-17-酮、3β-乙酰氧基孕甾-5-烯-20-酮和3,3-亚乙二氧基胆甾-5-烯的环氧化反应中获得。

  DOI：

  10.1055/s-1989-27261
• 作为产物：
  描述：

  壬酰氯 、 cholesterol 在 N,N-二甲基苯胺 作用下， 生成 胆固醇壬酸酯
  参考文献：
  名称：

  726.胆固醇脂肪酯的同构行为

  摘要：

  DOI：

  10.1039/jr9560003733

文献信息

• ALKOXYCARBONATE ESTER PRODRUGS FOR USE AS ANTIMALARIAL AGENTS
  申请人：OREGON HEALTH & SCIENCE UNIVERSITY

  公开号：US20200369616A1

  公开（公告）日：2020-11-26

  Provided are compounds of Formula (I): wherein: X is selected from the group of F and Cl; Y is selected from the group of —CH 2 —, —CH 2 —CH 2 —, and —CH(CH 3 )—; R 1 is selected from cycloalkyl, heterocyclyl, aromatic, heteroaromatic, and linear and branched alkyl, alkenyl, and alkynyl chains.

  提供的是Formula (I)的化合物： 其中：X选自F和Cl；Y选自—CH2—、—CH2—CH2—和—CH(CH3)—；R1选自环烷基、杂环烷基、芳香族、杂芳香族以及直链和支链烷基、烯基和炔基链。
• PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE
  申请人：JNC CORPORATION

  公开号：US20160039758A1

  公开（公告）日：2016-02-11

  To provide a liquid crystal composition containing a compound that is effective in preventing photolysis of the liquid crystal composition, and has high solubility in the liquid crystal composition, and to provide a liquid crystal display device including the composition. The liquid crystal composition contains a compound represented by formula (1), and a liquid crystal display device uses the composition: in which, in formula (1), R 1 to R 8 are hydrogen or alkyl having 1 to 4 carbons; ring A 1 and ring A 2 are cyclohexylene, phenylene, naphthalenediyl or the like; Z 1 , Z 2 and Z 3 are a single bond or the like; and a and b are independently 1 or 2, and c is 0, 1 or 2.

  为了提供一种液晶组合物，其中包含一种化合物，该化合物有效地防止液晶组合物的光解，并且在该液晶组合物中具有高溶解度，以及提供一种包含该组合物的液晶显示器。该液晶组合物包含由公式(1)表示的化合物，而液晶显示器使用该组合物：在公式(1)中，R1至R8是氢或具有1至4个碳原子的烷基；环A1和环A2是环己烯基、苯基、萘基等；Z1、Z2和Z3是单键等；a和b独立地为1或2，而c为0、1或2。
• Thermotropic liquid crystal polymer microcapsules, a method for preparing the same, and cosmetic compositions containing the same
  申请人：——

  公开号：US20030129247A1

  公开（公告）日：2003-07-10

  There are provided thermotropic liquid crystal polymer microcapsules which can show behavior of liquid crystal as it is within polymer phase due to phase separation between liquid crystal and polymer, so to be incorporated into cosmetic composition as an additive for visual effect, and in loading active ingredients within liquid crystal, can improve the stability of the active ingredients in cosmetic base; and a method for preparing the same; and cosmetic compositions containing the same.

  提供了热致液晶聚合物微胶囊，由于液晶与聚合物之间的相分离，这些微胶囊可以展现液晶在聚合物相中的行为，因此可以作为化妆品组合物中的添加剂用于视觉效果，并且在液晶中装载活性成分，可以提高这些活性成分在化妆品基料中的稳定性；以及制备这些微胶囊的方法；以及含有这些微胶囊的化妆品组合物。
• Synthesis of ethers from esters via Fe-catalyzed hydrosilylation
  作者：Shoubhik Das、Yuehui Li、Kathrin Junge、Matthias Beller

  DOI：10.1039/c2cc32142d

  日期：——

  Triiron dodecacarbonyl allows for the selective reduction of esters into the corresponding ethers. This protocol has a wide substrate scope. In addition, cholesteryl pelarogonate has been reduced under the reaction conditions with an excellent yield.

  十二羰基三铁可以选择性地将酯还原为相应的醚。该方案的底物范围广泛。此外，胆甾醇佩拉罗酯在反应条件下也得到了极好的产率。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。

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