4-异硫代氰酰基苯基4-戊基双环[2.2.2]辛烷-1-羧酸 | 121235-90-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 4-异硫代氰酰基苯基4-戊基双环[2.2.2]辛烷-1-羧酸
• 中文别名: 4-异硫氰基苯4-环戊二基[2.2.2]辛烷-1-羧酸酯
• 英文名称: 4-Isothiocyanatophenyl 4-pentyl-bicyclo<2.2.2>octane-1-carboxylate
• 英文别名: 4-Isothiocyanatophenyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate；(4-isothiocyanatophenyl) 4-pentylbicyclo[2.2.2]octane-1-carboxylate
• CAS: 121235-90-3
• 化学式: C₂₁H₂₇NO₂S
• 分子量: 357.517
• InChiKey: BXZVNXOHCXCVAG-UHFFFAOYSA-N

物化性质

• 熔点：
  73-113.5 °C(lit.)
• 沸点：
  468.9±28.0 °C(Predicted)
• 密度：
  1.14±0.1 g/cm3(Predicted)
• 稳定性/保质期：

  避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2930909090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  Langlois reagent 、 4-异硫代氰酰基苯基4-戊基双环[2.2.2]辛烷-1-羧酸 在 silver fluoride 、 二苯基氯化膦 作用下， 以 乙腈 为溶剂， 以84 %的产率得到
  参考文献：
  名称：

  Novel N(SCF₃)(CF₃)-amines: synthesis, scalability and stability

  摘要：

  我们在此公开了一种利用异硫氰酸酯、氟化源和亲电三氟甲基硫代试剂组合合成前所未有的 N-((三氟甲基)硫)、N-(三氟甲基)胺的直接策略。

  DOI：

  10.1039/d2sc06542h

文献信息

• WATER-SOLUBLE POLYSACCHARIDE ETHERS AND THEIR USE
  申请人：Ritter Helmut

  公开号：US20120238524A1

  公开（公告）日：2012-09-20

  The invention relates to modified polysaccharide ethers having a weight-averaged molecular weight of 40000 to 50000 g/mole, zero shear viscosity of more than 10 Pas, and pseudoplasticity of more than 20, obtainable by reacting cellulose-based polysaccharide ether(s) with at least one mesogenic modification agent or modified polysaccharide ethers, obtainable by reacting polysaccharide ether(s) selected from the group consisting of hydroxypropylmethyl cellulose (HPMC), hydroxyethylmethyl cellulose (HEMC), methyl cellulose, and cellulose ethers with methyl and/or ethyl and/or propyl groups and mixtures thereof, with at least one mesogenic modification agent. Said substances can be used to produce gel-like to stable aqueous preparations having viscoelastic flow properties, which are suited for use in the human body, particularly within the scope of ophthalmologic procedures.

  本发明涉及一种具有重量平均分子量为40000至50000克/摩尔，零剪切粘度大于10帕斯，伪塑性大于20的改性多糖醚，其可通过将基于纤维素的多糖醚与至少一种介向改性剂或改性多糖醚反应获得，或通过将选自羟丙基甲基纤维素（HPMC）、羟乙基甲基纤维素（HEMC）、甲基纤维素和甲基和/或乙基和/或丙基基团和其混合物的纤维素醚与至少一种介向改性剂反应获得。这些物质可用于制备凝胶状到稳定的水性制剂，具有黏弹性流动特性，适用于人体内使用，特别是在眼科手术范围内。
• PROCESSABLE POLYMER, METHOD, AND APPARATUS FOR ADDITIVE MANUFACTURE
  申请人：The Boeing Company

  公开号：EP3835065A2

  公开（公告）日：2021-06-16

  A material, an additively manufactured article, and a process for additive manufacture of an article comprises conveying a material through a heated nozzle to form a flowing mass of the material. The material comprises a polymer matrix including a plurality of polymeric chains and an alignment additive dispersible within the polymer matrix. The alignment additive is configured to align the plurality of polymeric chains in a flow direction of the flowing mass of the material. The process further comprises aligning at least a portion of the polymeric chains, via the alignment additive, along a direction of flow through the heated nozzle, releasing the flowing mass of the material from the heated nozzle, and allowing the material to solidify.

  一种材料、一种添加剂制造的物品，以及一种添加剂制造物品的工艺，包括通过加热喷嘴输送材料以形成流动的材料块。材料包括聚合物基体，其中包括多条聚合物链和可分散在聚合物基体中的对准添加剂。配向添加剂的作用是使多条聚合物链沿材料流动体的流动方向配向。该工艺还包括通过配向添加剂使至少一部分聚合物链沿流经加热喷嘴的方向配向，从加热喷嘴释放流动的材料，并使材料凝固。
• Compositions comprising anisotropic nanoparticle liquid crystal dispersions having tunable optical properties
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US10640707B2

  公开（公告）日：2020-05-05

  Disclosed herein are compositions, comprising one or more types of surface modified anisotropic nanoparticles dispersed in a liquid crystal. The compositions provide tunable methods for modifying light and energy flow.

  本文公开了一些组合物，其中包括分散在液晶中的一种或多种表面修饰的各向异性纳米粒子。这些组合物提供了改变光和能量流的可调方法。
• Methods for inhibiting conversion of carnitine to trimethylamine (TMA)
  申请人：The Procter & Gamble Company

  公开号：US10786479B2

  公开（公告）日：2020-09-29

  The invention provides a method of inhibiting the conversion of carnitine to trimethylamine (TMA) and lowering TMAO in an individual comprising administering to the individual one or more compositions comprising a compound set forth in Formula (I): Wherein the compound is administered in an amount effective to inhibit conversion of carnitine to TMA in the individual.

  本发明提供了一种抑制肉碱向三甲胺（TMA）转化并降低个体体内 TMAO 的方法，包括向个体施用一种或多种包含式 (I) 所述化合物的组合物： 其中，化合物的用量可有效抑制人体内肉碱向 TMA 的转化。
• Cellulose enabled orientationally ordered flexible gels
  申请人：THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE

  公开号：US11180627B2

  公开（公告）日：2021-11-23

  Disclosed are cellulose-based flexible gels containing cellulose nanorods, ribbons, fibers, and the like, and cellulose-enabled inorganic or polymeric composites, wherein the gels have tunable optical, heat transfer, and stiffness properties. The disclosed gels are in the form of hydrogels, organogels, liquid-crystal (LC) gels, and aerogels, depending on the solvents in the gels.

  公开了含有纤维素纳米棒、带、纤维等的纤维素基柔性凝胶，以及纤维素赋能的无机或聚合物复合材料，其中凝胶具有可调的光学、传热和刚度特性。所公开的凝胶有水凝胶、有机凝胶、液晶（LC）凝胶和气凝胶等形式，具体取决于凝胶中的溶剂。