胆甾烯基 3,5-二硝基苯甲酸酯 | 25279-63-4

• 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: 胆甾烯基 3,5-二硝基苯甲酸酯
• 中文别名: 胆甾醇3,5-二硝基苯甲酸酯；胆甾烯基3,5-二硝基苯甲酸酯；3,5-二硝基苯甲酸酯胆甾醇
• 英文名称: (3β)-cholest-5-en-3-yl 3,5-dinitrobenzoate
• 英文别名: cholesteryl 3,5-dinitrobenzoate；3β-(3,5-dinitro-benzoyloxy)-cholest-5-ene；3β-(3,5-Dinitro-benzoyloxy)-cholest-5-en；O-(3.5-Dinitro-benzoyl)-cholesterin；Cholest-5-en-3-ol (3beta)-, 3,5-dinitrobenzoate；[(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] 3,5-dinitrobenzoate
• CAS: 25279-63-4
• 化学式: C₃₄H₄₈N₂O₆
• 分子量: 580.765
• InChiKey: HHGUYYDVBVJLCU-NOVKNDRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  胆甾烯基 3,5-二硝基苯甲酸酯 在 iron(III) chloride hexahydrate 、 水 、 锌 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以8.20 g的产率得到(3β)-cholest-5-en-3-yl 3,5-diaminobenzoate
  参考文献：
  名称：

  [EN] PHOTOALIGNING MATERIAL
  [FR] MATÉRIAU DE PHOTOALIGNEMENT

  摘要：

  本发明涉及一种共聚物，用于液晶的光调向，包括如下所示的具有光反应性基团的化合物（I）的公式，以及其组合物，以及其在光学和电光设备，特别是液晶设备（LCD）中的使用。

  公开号：

  WO2013017467A1
• 作为产物：
  描述：

  cholesterol 、 3,5-二硝基苯甲酰氯 生成 胆甾烯基 3,5-二硝基苯甲酸酯
  参考文献：
  名称：

  Water Resources Management under Competitive Sectoral Demand A Case Study from Jordan

  摘要：

  Jordan is a country plagued with water scarcity. The annual per capita share of water is currently estimated at 170 m(3) and the figure is expected to drop to 90 m(3) in the year 2020 as a result of the disproportional increase in population relative to water resources development. Moreover about 70 percent of the country water resources are consumed in irrigated agriculture. For most crops growing in all areas and seasons and managed with different production technologies, analysis of net return from unit volume of irrigation water showed, with few exceptions, low values pertaining to production under protected agriculture. Such a result indicated unjustified waste of water in the agricultural sector at the expense of the domestic sector This paper reviews current challenges facing water management in the country and proposes short- and long-term alternative solutions.

  DOI：

  10.1080/02508060208687016

文献信息

• Potassium borohydride reductions of immobilised ketosteroids
  作者：Josie C Briggs、Philip Hodge、Zhengpu Zhang

  DOI：10.1016/s0040-4020(97)00011-2

  日期：1997.3

  insoluble supports (powdered polyethylene, microporous 2% crosslinked polystyrene beads, macroporous highly crosslinked polystyrene beads, silica gel and alumina) can be reduced using aqueous potassium borohydride. The use of phase transfer catalysts generally raises yields. In the case of 6-ketosteriods the supported reactions often follow a stereochemical course significantly different from that of

  可以使用硼氢化钾水溶液还原吸收到各种不溶性载体（粉状聚乙烯，2％交联的微孔聚苯乙烯微珠，大孔高度交联的聚苯乙烯微珠，硅胶和氧化铝）中的酮类固醇。相转移催化剂的使用通常提高产率。对于6-酮类化合物，所支持的反应通常遵循的立体化学过程与溶液中类似反应的显着不同。这归因于类固醇在载体内表面上的吸附。在这些情况下，基本上抑制了烷氧基硼氢化物对酮类固醇的还原，因此大部分还原是由BH 4-引起的。本身是一种相对空间上不需要的还原剂。最终结果是，尽管硼氢化钾可将溶液中的6-酮类固醇还原成15:85的6α-和6β-醇，但负载的类固醇的比例可高达90:10。
• PHOTOALIGNING MATERIAL
  申请人：Eckert Jean-Francois

  公开号：US20130035446A1

  公开（公告）日：2013-02-07

  The present invention relates to polymer, homo- or copolymer or oligomer for the photoalignment of liquid crystals comprising a main chain and a side chain, wherein the side chain comprises a difluoromethylene group, compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及用于光致取向液晶的聚合物、同聚物或寡聚物，包括主链和侧链，其中侧链包括二氟甲基基团，以及其组成物和其在光学和电光设备中的应用，尤其是液晶设备（LCD）。
• Photoaligning material
  申请人：Eckert Jean-Francois

  公开号：US09097938B2

  公开（公告）日：2015-08-04

  The present invention relates to polymer, homo- or copolymer or oligomer for the photoalignment of liquid crystals comprising a main chain and a side chain, wherein the side chain comprises a difluoromethylene group, compositions thereof, and its use for optical and electro optical devices, especially liquid crystal devices (LCDs).

  本发明涉及用于液晶光对齐的聚合物、同聚物或寡聚物，包括主链和侧链，其中侧链包括二氟甲基基团，以及其组成物和其在光学和电光设备，特别是液晶设备（LCD）中的应用。
• Photoactive copolymer
  申请人：Rolic AG

  公开号：EP1219651A1

  公开（公告）日：2002-07-03

  The invention relates to a novel photoactiv copolymer and its use as orientation layers for liquid crystals and in the construction of unstructured and structured optical elements and multi-layer systems. The copolymer contains side chains incorporating photoreactive groups and simultaneously side chains of the general formula I: wherein the total number of rings, including the number of rings in optionally present condensed systems is at least two and at most six; and wherein the broken line symbolizes the point of linkage to the polymer main chain; A2represents an alicyclic ring or a condensed ring system incorporating 2-5 rings, in which one or more non adjacent CH2 groups are optionally replaced by oxygen, which is unsubstituted or substituted by fluorine or by a straight-chain or branched alkyl residue which is unsubstituted, mono-substituted by cyano or halogeno, or poly-substituted by halogeno, having 1 to 18 carbon atoms and wherein one or more non adjacent CH2 groups may independently be replaced by a group Q, where Q represents -O-, -CO-, -CO-O-, -O-CO-, -Si(CH3)2-O-Si(CH3)2-, -NR2-, -NR2-CO-, -CO-NR2-, -NR2-CO-O-, -O-CO-NR2-, -NR2-CO-NR2-, -CH=CH-, -C≡C-, -O-CO-O-, and R2 represents hydrogen or lower alkyl; A1, A3each independently of the other represents an aromatic or alicyclic group which is unsubstituted or substituted by fluorine, chlorine, cyano or by a cyclic, straight-chain or branched alkyl residue which is unsubstituted, mono-substituted by cyano or halogeno, or poly-substituted by halogeno, having 1 to 18 carbon atoms and wherein one or more non adjacent CH2 groups may independently be replaced by Q, wherein Q and R2 have the meaning given above, with the proviso that -CH=CH-, -C≡C- are not in conjugation with aromatic rings.

  本发明涉及一种新型光活性共聚物及其在液晶定向层和非结构和结构光学元件及多层系统构建中的应用。该共聚物含有包含光活性基团的侧链，同时含有通式 I 的侧链： 其中 环的总数（包括可选缩合体系中的环数）至少为 2 个，最多为 6 个； 断线表示与聚合物主链的连接点； A2 代表脂环或包含 2-5 个环的缩合环系统，其中一个或多个非相邻的 CH2 基团可选地被氧取代，氧未被取代或被氟取代，或被未被取代、被氰基或卤素单取代或被卤素多取代的直链或支链烷基残基取代、-Si(CH3)2-O-Si(CH3)2-、-NR2-、-NR2-CO-、-CO-NR2-、-NR2-CO-O-、-O-CO-NR2-、-NR2-CO-NR2-、-CH=CH-、-C≡C-、-O-CO-O-，而 R2 代表氢或低级烷基； A1、A3 各自独立地代表未被取代或被氟、氯、氰基或未被取代的环状、直链或支链烷基残基取代、被氰基或卤素单取代或被卤素多取代的芳香族或脂环族基团、或卤素多取代的、具有 1 至 18 个碳原子的烷基残基，其中一个或多个非相邻的 CH2 基团可独立地被 Q 取代，其中 Q 和 R2 具有上述含义，但 -CH=CH-、-C≡C- 不与芳香环共轭。
• Thermochromic/photochromic cosmetic compositions
  申请人：——

  公开号：US20020192247A1

  公开（公告）日：2002-12-19

  Novel thermochromic and/or photochromic compositions are described. The thermochromic compositions include a thermoset resin, cholesterol, water, and dye, while photochromic compositions include a benzene and a binder, such as silica gel. When mixed, the ingredients of the thermochromic and photochromic compositions form chromic cells with an outer shell comprised of either the thermoset resin (in the case of thermochromic compositions) or potassium nitrate (in the case of photochromic compositions). When the chromic compositions are exposed to either a heat or light stimulus, the chromic cells compress to causing the dye within the cells to no longer be visible, thereby creating a color-changing effect.

  本文描述了新型热致变色和/或光致变色组合物。热致变色组合物包括热固性树脂、胆固醇、水和染料，而光致变色组合物包括苯和粘合剂，如硅胶。热致变色组合物和光致变色组合物的成分混合后会形成铬电池，其外壳由热固性树脂（热致变色组合物）或硝酸钾（光致变色组合物）组成。当色素组合物受到热或光的刺激时，色素细胞会压缩，使细胞内的染料不再可见，从而产生变色效果。