dimethyl-n-octylphosphine | 34684-16-7

• 物质功能分类: 化学试剂 - 有机试剂 - 膦配体
• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: dimethyl-n-octylphosphine
• 英文别名: Dimethyl(octyl)phosphane
• CAS: 34684-16-7
• 化学式: C₁₀H₂₃P
• 分子量: 174.266
• InChiKey: LFZKSOOXPOYSSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  dimethyl-n-octylphosphine 、 vinylidene-1,1-diphosphonic acid 在 三氟乙酸 作用下， 生成 2-(octyl-dimethyl-phosphonium-1-yl)ethylidene-1,1-bisphosphonic acid
  参考文献：
  名称：

  Inhibition of Geranylgeranyl Diphosphate Synthase by Bisphosphonates: A Crystallographic and Computational Investigation

  摘要：

  We report the X-ray structures of several bisphosphonate inhibitors of geranylgeranyl diphosphate synthase, a target for anticancer drugs. Bisphosphonates containing unbranched side chains bind to either the farnesyl diphosphate (FPP) substrate site, the geranylgeranyl diphosphate (GGPP) product site, and in one case, both sites, with the bisphosphonate moiety interacting with 3 Mg2+ that occupy the same position as found in FPP synthase. However, each of three "V-shaped" bisphosphonates bind to both the FPP and GGPP sites. Using the Glide program, we reproduced the binding modes of 10 bisphosphonates with an rms error of 1.3 angstrom. Activities of the bisphosphonates in GGPPS inhibition were predicted with an overall error of 2x by using a comparative molecular similarity analysis based on a docked-structure alignment. These results show that some GGPPS inhibitors can occupy both substrate and product site and that binding modes as well as activity can be accurately predicted, facilitating the further development of GGPPS inhibitors as anticancer agents.

  DOI：

  10.1021/jm800325y

文献信息

• ANTIMICROBIAL CATIONIC POLYCARBONATES
  申请人：INTERNATIONAL BUSINESS MACHINES CORPORATION

  公开号：US20140301967A1

  公开（公告）日：2014-10-09

  Antimicrobial cationic polymers having one or two cationic polycarbonate chains were prepared by organocatalyzed ring opening polymerization. One antimicrobial cationic polymer has a polymer chain consisting essentially of cationic carbonate repeat units linked to one or two end groups. The end groups can comprise a covalently bound form of biologically active compound such as cholesterol. Other antimicrobial cationic polymers have a random copolycarbonate chain comprising a minor mole fraction of hydrophobic repeat units bearing a covalently bound form of a vitamin E and/or vitamin D2. The cationic polymers exhibit high activity and selectivity against Gram-negative and Gram-positive microbes and fungi.

  具有一个或两个阳离子聚碳酸酯链的抗菌阳离子聚合物是通过有机催化的环氧开聚合制备的。其中一种抗菌阳离子聚合物具有基本由阳离子碳酸酯重复单元构成的聚合物链，与一个或两个末端基团相连。末端基团可以包括胆固醇等生物活性化合物的共价结合形式。其他抗菌阳离子聚合物具有随机共聚碳酸酯链，其中含有少量疏水重复单元，带有维生素E和/或维生素D2的共价结合形式。这些阳离子聚合物对革兰氏阴性和革兰氏阳性微生物和真菌表现出高活性和选择性。
• Method of producing nitrile compounds
  申请人：——

  公开号：US20040260112A1

  公开（公告）日：2004-12-23

  The present invention relates to the manufacture of nitrile compounds from unsaturated organic compounds by reaction with hydrogen cyanide. It relates more particularly to the manufacture of nitrile compounds of use in the synthesis of adiponitrile, an important chemical intermediate in the manufacture of major chemical compounds, such as hexamethylenediamine and &egr;-caprolactam. The invention provides a process for the manufacture of organic compounds comprising at least one nitrile functional group by carrying out a hydrocyanation reaction between hydrogen cyanide and an organic compound comprising at least one ethylenic unsaturation. This reaction is carried out in the presence of a catalytic system comprising a metal element chosen from the group consisting of nickel, platinum and palladium and an organophosphorus ligand, the reaction medium additionally comprising an ionic liquid in the liquid state at least at the temperature at which the hydrocyanation reaction is carried out.

  本发明涉及通过与氢氰酸反应从不饱和有机化合物制备腈化合物。更具体地，它涉及制备用于合成己二腈的腈化合物，己二腈是制造主要化学化合物如六亚甲基二胺和ε-己内酰胺的重要化学中间体。该发明提供了一种制备至少含有一个腈官能团的有机化合物的方法，通过在氢氰酸和至少含有一个乙烯不饱和度的有机化合物之间进行氢氰化反应来实现。该反应在催化系统的存在下进行，该催化系统包括从镍、铂和钯组成的金属元素和一个有机磷配体，反应介质另外还包括至少在进行氢氰化反应的温度下处于液态的离子液体。
• Process of telomerizing conjugated dienes
  申请人：Celanese Chemicals Europe GmbH

  公开号：EP1201634A1

  公开（公告）日：2002-05-02

  The present invention is related to a process for telomerizing a conjugated diene which comprises reacting said conjugated diene with a compound containing active hydrogen in the presence of a catalyst system comprising at least one transition metal compound, at least one phosphorus-containing compound, and at least one salt which forms a liquid under the conditions of the telomerization process.

  本发明涉及一种用于对共轭二烯进行缩聚的方法，包括在存在至少一种过渡金属化合物、至少一种含磷化合物和至少一种在缩聚过程条件下形成液体的盐的催化剂体系的情况下，将所述共轭二烯与含活性氢的化合物反应的过程。
• METHOD FOR PRODUCING CATALYST FOR CYCLIC CARBONATE SYNTHESIS
  申请人：MARUZEN PETROCHEMICAL CO., LTD.

  公开号：US20160108071A1

  公开（公告）日：2016-04-21

  The present invention provides a method for easily and inexpensively producing a heterogeneous catalyst used to synthesize a cyclic carbonate by reacting an epoxide with carbon dioxide and having excellent catalyst activity; a catalyst obtained using said manufacturing method; and a method for synthesizing a cyclic carbonate using said catalyst. A method for producing a catalyst that is used for the purpose of synthesizing a cyclic carbonate by subjecting to a reaction an epoxide with carbon dioxide, said method comprising the following steps (a) and (b): (a) a step of obtaining a catalyst precursor having a haloalkyl group or a haloaryl group by reacting a silane compound with a silica gel in the presence of xylene, the silane compound having a haloalkyl group or a haloaryl group and (b) a step of obtaining a catalyst for synthesizing a cyclic carbonate by reacting the catalyst precursor obtained in step (a) with a tertiary phosphine.

  本发明提供了一种用于通过将环氧化合物与二氧化碳反应来合成环状碳酸酯的异质催化剂的简便且廉价的生产方法；采用所述制备方法获得的催化剂；以及使用该催化剂合成环状碳酸酯的方法。用于生产一种用于合成环状碳酸酯的催化剂的方法，通过将环氧化合物与二氧化碳反应，该方法包括以下步骤(a)和(b)：(a)通过在二甲苯存在下将硅烷化合物与二氧化硅反应以获得具有卤代烷基或卤代芳基的催化剂前驱体的步骤，其中所述硅烷化合物具有卤代烷基或卤代芳基；以及(b)通过将步骤(a)中获得的催化剂前驱体与三膦反应以获得用于合成环状碳酸酯的催化剂的步骤。
• VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS
  申请人：INTERNATIONAL BUSINESS MACHINES CORPORATION

  公开号：US20180117162A1

  公开（公告）日：2018-05-03

  Gel-forming block copolymers were prepared comprising i) a central hydrophilic block consisting essentially of a divalent poly(ethylene oxide) chain and ii) two peripheral monocarbonate or polycarbonate hydrophobic blocks linked to the central block by linking groups bearing one or more hydrogen bond forming *—N(H)—* groups. The hydrophobic blocks comprise one or more vitamin-bearing subunits. The gel-forming block copolymers can be used to prepare various biodegradable and/or biocompatible hydrogel and organogel drug compositions, in particular antimicrobial and/or anti-tumor drug compositions. The hydrogel compositions have utility in depot injections for drug delivery. The hydrogen bonding *—N(H)—* group(s) provide longer in vivo lifetime of the hydrogel before degradation and a more prolonged and controlled release rate of a hydrophobic drug compared to similar hydrogels prepared from poly(ethylene glycol).

  制备了包含以下组成部分的凝胶形成嵌段共聚物：i）主要由二价聚乙二醇链组成的中心亲水性块和ii）通过带有一个或多个氢键形成*—N(H)—*基团连接到中心块的两个外周单碳酸酯或多碳酸酯疏水性块。疏水性块包含一个或多个含维生素的亚单位。这些凝胶形成嵌段共聚物可用于制备各种可生物降解和/或生物相容的水凝胶和有机凝胶药物组合物，特别是抗微生物和/或抗肿瘤药物组合物。水凝胶组合物在药物输送的库存注射中具有实用性。与由聚乙二醇制备的类似水凝胶相比，氢键*—N(H)—*基团提供了凝胶在体内降解之前更长的生命周期，以及与水凝胶相比更延长和控制释放速率的疏水性药物。