4,4'-<1,4-Butanediylbis(oxy)>bis(benzenemethanol) | 111285-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,4'-<1,4-Butanediylbis(oxy)>bis(benzenemethanol)
• 英文别名: 1,4-bis(4-hydroxymethylphenoxy)butane；[4-[4-[4-(hydroxymethyl)phenoxy]butoxy]phenyl]methanol
• CAS: 111285-12-2
• 化学式: C₁₈H₂₂O₄
• 分子量: 302.37
• InChiKey: LDDQSUPZDFONNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,4'-<1,4-Butanediylbis(oxy)>bis(benzenemethanol) 在 氢溴酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以92%的产率得到1-(溴甲基)-4-[4-[4-(溴甲基)苯氧基]丁氧基]苯
  参考文献：
  名称：

  Molecular recognition of neutral molecules by metalloclefts: synthesis, x-ray structure, proton NMR spectroscopy, electrochemistry, and molecular modeling

  摘要：

  Metalloclefts 2 and 10a-b and metallomacrocycles 7a-c possessing a Lewis acidic uranyl cation were synthesized from the corresponding aldehydes. The complexation of these compounds with neutral molecules was assessed by H-1 NMR spectroscopy, X-ray structure determination, polarography, and molecular modelling. H-1 NMR titration experiments and the crystal structure of 10b.4-tert-butylpyridine indicate that the neutral guests coordinate with their Lewis basic site at the uranyl, and that pi-pi stacking of the aromatic rings of host and guest stabilizes the complexes. Free energies of complexation, for a series of hosts and guests, obtained from polarographic titration data, vary from 1.5 to greater-than-or-equal-to 6.3 kcal mol-1. Compared to the reference salophene-uranyl 11 the stabilities of the complexes are enhanced up to 1.7 kcal mol-1 for 2 and up to 1.6 kcal mol-1 for 10a-b; for the more rigid metallomacrocyles 7 increases up to 2.2 kcal mol-1 were found. The calculated and experimentally determined relative energies of complexation of 4-methylpyridine vs pyridine with 2, 10a-b, and 11 correspond quantitatively.

  DOI：

  10.1021/jo00007a023
• 作为产物：
  描述：

  4,4-(1,4-丁烷二yl)二氧基二苯甲醛 在 sodium tetrahydroborate 作用下， 生成 4,4'-<1,4-Butanediylbis(oxy)>bis(benzenemethanol)
  参考文献：
  名称：

  Glaser–Eglinton–Hay sp–sp偶联和大环化：构建具有1,3-二炔单元的新型聚醚大环化合物†

  摘要：

  据报道，Glaser–Eglinton–Hay型sp–sp偶联，大环化和具有1,3-diyne单元圆柱形主链的骨架结构有趣的18–27元聚醚大环化合物的构建。具有1，3-二炔单元的聚醚大环的用途通过将异恶唑和噻吩部分结合到大环中来显示。从单晶X射线结构分析清楚地建立了代表性的冠醚/聚醚型大环的结构。对代表性大环化合物的X射线结构的研究表明，1,3-二炔单元不是线性的，被发现是弯曲的。

  DOI：

  10.1039/c4ra02174f

文献信息

• Bisoxadiazolidine derivative
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US05643931A1

  公开（公告）日：1997-07-01

  A bisoxadiazolidine dione derivative represented by the following general formula (I) or a pharmaceutically acceptable salt thereof, which is useful as an insulin sensitivity-increasing drug, and a pharmaceutical composition thereof. ##STR1## each represents a phenylene group L: (1) an oxygen, (2) a ##STR2## (3) a --S(O).sub.n --, (4) a --CO--, (5) a ##STR3## (6) an alkylene group or an alkenylene group which may respectively be interrupted with an oxygen atom and/or a sulfur atom.

  由以下一般式(I)表示的一种双噁唑烷二酮衍生物或其药学上可接受的盐，用作胰岛素敏感性增强药物，以及其药物组合物。##STR1##每个代表一个苯基L：(1) 氧，(2) ##STR2## (3) --S(O).sub.n --，(4) --CO--，(5) ##STR3## (6) 可分别用氧原子和/或硫原子中断的烷基或烯基基团。
• A palladium complex of a macrocyclic selenium ligand: catalyst for the dehydroxymethylation of dihydroxy compounds
  作者：Sunil Kumar、Sohan Singh、Suman Mahala、Prachi Janjani、S. Rajagopala Reddy、Tanmay Rom、Avijit Kumar Paul、Partha Roy、Hemant Joshi

  DOI：10.1039/d3dt00375b

  日期：——

  This report describes the synthesis of a seventeen-membered macrocyclic ring containing ligand (L1) by the reaction of 1,8-bis(2-(chloromethyl)phenoxy)octane with selenium powder. The trans-palladium dichloride complex (C1) of the macrocyclic selenium ligand was synthesized from its reaction with the Pd(CH3CN)2Cl2 precursor. The formation of the ligand and complex was authenticated with the help of

  本报告描述了通过 1,8-双（2-（氯甲基）苯氧基）辛烷与硒粉的反应合成含有配体 ( L1 )的十七元大环。大环硒配体的反式-二氯化钯络合物( C1 )是通过其与Pd(CH 3 CN) 2 Cl 2前体的反应合成的。借助1 H 和13 C 1等各种分析技术验证了配体和复合物的形成H} NMR、HRMS、FTIR、紫外-可见光谱和元素分析。借助单晶 X 射线衍射验证了配体的结构及其与钯前体的配位模式。该复合物在钯中心周围具有扭曲的方形平面几何形状。新的配体和复合物对空气和湿气不敏感，并且在室温下稳定三个月以上。变温核磁共振数据和计算研究表明钯络合物 ( C1 ) 中的硒反转具有～22.6 kcal mol -1的反转势垒。钯配合物C1用作含二羟基化合物的长烷基链脱羟甲基化的催化剂。通常，两种单独的催化剂用于脱羟甲基化（一种用于醇的氧化，另一种用于醛的脱羰基）。在这里，单一催化剂显示出脱羟甲基化的双重作用，在仅
• NOVEL BISOXADIAZOLIDINE DERIVATIVE
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0696585A1

  公开（公告）日：1996-02-14

  A bisoxadiazolidinedione derivative of general formula (I) useful as an insulin-sensitivity improver, a pharmaceutically acceptable salt thereof, and a medicinal composition thereof, wherein (a) and (b) may be the same or different from each other and each represent an optionally substituted phenylene group, and L represents: (1) an oxygen atom, (2) a group of formula (II) (R¹ being a hydrogen atom or a lower alkyl group), (3) a group of the formula: -S(O)n- (n being 0, 1 or 2), (4) a group of the formula: -CO-, (5) a group of formula (III) or (IV) (R² being a hydrogen atom or a lower alkyl group), or (6) an alkylene or alkenylene group which may be substituted and interrupted by an oxygen atom and/or a sulfur atom, and the like.

  一种用作胰岛素敏感性改善剂的通式(I)的双噁二唑烷二酮衍生物、其药学上可接受的盐及其药物组合物，其中(a)和(b)可以相同或互不相同，且各自代表任选取代的亚苯基，L代表：(1) 氧原子，(2) 式 (II) 的基团（R¹ 为氢原子或低级烷基），(3) 式中的基团：-S(O)n-（n 为 0、1 或 2），(4) 式中的一个基团：-CO-，(5)式(III)或(IV)的基团（R²为氢原子或低级烷基），或(6)可被氧原子和/或硫原子取代和间断的亚烷基或烯基等。
• Compound for forming organic film, and organic film composition using the same, process for forming organic film, and patterning process
  申请人：SHIN-ETSU CHEMICAL CO., LTD.

  公开号：US10007183B2

  公开（公告）日：2018-06-26

  The invention provides a compound for forming an organic film having a partial structure represented by the following formula (ii), wherein the ring structures Ar1, Ar2 and Ar3 each represent a substituted or unsubstituted benzene ring or naphthalene ring; e is 0 or 1; R0 represents a hydrogen atom or a linear, branched or cyclic monovalent organic group having 1 to 30 carbon atoms; L0 represents a linear, branched or cyclic divalent organic group having 1 to 32 carbon atoms; and the methylene group constituting L0 may be substituted by an oxygen atom or a carbonyl group. There can be provided an organic film composition for forming an organic film having high dry etching resistance as well as advanced filling/planarizing characteristics.

  本发明提供了一种用于形成有机薄膜的化合物，其部分结构由下式(ii)表示、 其中，环结构 Ar1、Ar2 和 Ar3 分别代表取代或未取代的苯环或萘环；e 为 0 或 1；R0 代表氢原子或具有 1 至 30 个碳原子的线性、支链或环状一价有机基团；L0 代表具有 1 至 32 个碳原子的线性、支链或环状二价有机基团；构成 L0 的亚甲基可被氧原子或羰基取代。本发明可提供一种有机薄膜组合物，用于形成具有高抗干蚀刻性和高级填充/平面化特性的有机薄膜。
• Analysis and Improvement of an Anion-Templated Rotaxane Synthesis
  作者：Christoph A. Schalley、Gabriele Silva、Carl Friedrich Nising、Petra Linnartz

  DOI：10.1002/1522-2675(200206)85:6<1578::aid-hlca1578>3.0.co;2-l

  日期：2002.6

  A series of new rotaxanes with axles different in length was prepared. Following the synthetic protocol utilizing a known anion template effect (Scheme 1), surprisingly low yields in the order of 2 - 5% were obtained (Scheme 3), which furthermore significantly depended on the nature of the stopper (Fig. 1). Variations in the synthetic procedures and computational results from Monte Carlo simulations allowed us to analyze the origin of these findings: The rotaxane wheel 3 acts as a noncovalently bound 'protecting group' for the stopper nucleophile. The protection of the nucleophilic phenolate O-atom depends much on the steric demands of the stoppers (see 2 vs. 10) which induce different conformations of the wheel. Based on this model. an improved synthetic scheme is suggested.