diethyl 2-(4-(benzyloxy)butyl)malonate | 151134-32-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diethyl 2-(4-(benzyloxy)butyl)malonate
• 英文别名: 2-(4-benzyloxy)butyl-propanedioic acid, diethyl ester；diethyl 2-(4-(phenylmethoxy)butyl)propane-1,3-dioate；diethyl 2-(4-phenylmethoxybutyl)propanedioate
• CAS: 151134-32-6
• 化学式: C₁₈H₂₆O₅
• 分子量: 322.401
• InChiKey: BLCQLTIKPVSSAU-UHFFFAOYSA-N

物化性质

• 沸点：
  397.0±37.0 °C(Predicted)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-(4-(benzyloxy)butyl)malonate 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Aliphatic Hyperbranched Polycarbonates: Synthesis, Characterization, and Solubility in Supercritical Carbon Dioxide

  摘要：

  Recently much effort has been devoted to developing drug delivery systems based on macromolecules of three-dimensional structure. In addition to dendrimers which are widely studied, hyperbranched polymers are gaining more and more attention. Among numerous polymeric materials used in drug delivery systems, aliphatic polycarbonates are one of the most interesting ones due to biocompatibility, nontoxic degradation products, and the absence of autocatalytic effect during the degradation process. However, they show poor solubility in supercritical carbon dioxide. This paper describes the synthesis of 5-(4-hydroxybutyl)-1,3-dioxan-2-one and its application for preparation of hyperbranched aliphatic polycarbonates. Linear analogues of the poly(5-(4-hydroxybutyl)-1,3-dioxan-2-one) were prepared, too, and the structures were compared by means of C-13 NMR. Ring-opening polymerization of 5(4-hydroxybutyl)-1,3-dioxan-2-one led to polymers containing solely primary hydroxyl groups which were subsequently reacted with trifluoroacetic anhydride. The phase behavior of fluorinated polymer in supercritical carbon dioxide was explored as a function of concentration and temperature. Modified hyperbranched polycarbonate showed reasonably good solubility in carbon dioxide. It was shown that hyperbranched structure of a polymer facilitate solubility even though the carbonate structural units do not promote solubility in scCO(2).

  DOI：

  10.1021/ma3011153
• 作为产物：
  描述：

  4-苄氧基-1-丁醇 在 吡啶 、 sodium hydride 、 sodium iodide 作用下， 以 四氢呋喃 、 二氯甲烷 、 丙酮 为溶剂， 反应 13.5h， 生成 diethyl 2-(4-(benzyloxy)butyl)malonate
  参考文献：
  名称：

  Synthesis of Extremely Simplified Compounds Possessing the Key Pharmacophore Units of Taxol, Phenylisoserine and Oxetane Moieties.

  摘要：

  合成了直链化合物，这些化合物在α-和ω-位分别具有苯基异氨酸单元和氧杂环，作为紫杉醇的极简化类似物。然而，这些化合物均未表现出良好的微管抑制活性。

  DOI：

  10.1248/cpb.47.1334

文献信息

• [EN] LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS<br/>[FR] LIPIDES ET COMPOSITIONS LIPIDIQUES POUR LE LARGAGE D'AGENTS ACTIFS
  申请人：NOVARTIS AG

  公开号：WO2015095340A1

  公开（公告）日：2015-06-25

  This invention provides for a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1-R4, n and p are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

  该发明提供了化合物的结构式（I）：或其药用可接受盐，其中R1-R4、n和p在此处定义。结构式（I）的化合物及其药用可接受盐是用于将生物活性剂传递至细胞和组织中的阳离子脂质。
• Immunological detection of organophosphates
  申请人：The Horticulture and Food Research Institute of New Zealand Limited

  公开号：US05677432A1

  公开（公告）日：1997-10-14

  A compound useful for forming immunoconjugates used in the detection of organophosphate pesticides is provided. The compound has the formula ##STR1## wherein X is selected from the group consisting of R--O--, R--S-- and R--NH--, where R is an optionally substituted aromatic or heterocyclic group, or an optionally substituted alkyl or alkenyl group; Y is O or S; R.sup.1 is H or alkyl; and R.sup.2 is a group of the formula --(CH.sub.2).sub.n -- wherein n is an integer of from 1 to 10, or branched chain alkylene, or a group of the formula R.sup.3 --O--R.sup.4 wherein R.sup.3 and R.sup.4 are both or straight or branched chain alkylene; or a salt or ester thereof.

  提供了一种用于形成在检测有机磷杀虫剂中使用的免疫结合物的化合物。该化合物具有以下结构式##STR1## 其中X选择自R--O--, R--S--和R--NH--组成的群，其中R是一个可选择的取代芳香或杂环基团，或一个可选择的取代烷基或烯基基团；Y是O或S；R.sup.1是H或烷基；R.sup.2是一个具有结构式--(CH.sub.2).sub.n--的基团，其中n是1到10的整数，或支链烷基，或结构式R.sup.3--O--R.sup.4的基团，其中R.sup.3和R.sup.4都是直链或支链烷基；或其盐或酯。
• Novel benzopyran or thiobenzopyran derivatives
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20040102479A1

  公开（公告）日：2004-05-27

  The present invention relates to a novel benzopyran or thiobenzopyran derivative represented by formula (1): pharmaceutically acceptable salt or stereoisomer thereof, in which X, R 1 , R 2 , R 3 , R 4 and A are defined as described in the specification, and to a process for preparation thereof and a pharmaceutical composition having anti-estrogenic activity which contains the compound (1) as an active component.

  本发明涉及一种由式（1）表示的新型苯并吡喃或硫代苯并吡喃衍生物：其药学上可接受的盐或立体异构体，其中X，R1，R2，R3，R4和A的定义如说明书中所述，以及制备过程和具有抗雌激素活性的制剂，其含有化合物（1）作为活性成分。
• Lipids and lipid compositions for the delivery of active agents
  申请人：Brito Luis

  公开号：US10059655B2

  公开（公告）日：2018-08-28

  This invention provides for a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1-R4, n and p are defined herein. The compounds of formula (I) and pharmaceutically acceptable salts thereof are cationic lipids useful in the delivery of biologically active agents to cells and tissues.

  本发明提供了一种式（I）化合物：或其药学上可接受的盐，其中 R1-R4、n 和 p 在此定义。式（I）化合物及其药学上可接受的盐是一种阳离子脂质，可用于向细胞和组织递送生物活性剂。
• Loy, Rebecca N.; Jacobsen, Eric N., Journal of the American Chemical Society, 2009, vol. 131, p. 2786 - 2787
  作者：Loy, Rebecca N.、Jacobsen, Eric N.

  DOI：——

  日期：——