1-chloro-3,7-dimethyloctane | 66261-41-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 1-chloro-3,7-dimethyloctane
• 英文别名: 1-chloro-3,7-dimethyl-octane；1-Chlor-3,7-dimethyl-octan；3,7-dimethyloctyl chloride
• CAS: 66261-41-4；86709-44-6；5453-97-4
• 化学式: C₁₀H₂₁Cl
• 分子量: 176.73
• InChiKey: IFTYHSVPPGZJQG-UHFFFAOYSA-N

物化性质

• 沸点：
  210.8±8.0 °C(Predicted)
• 密度：
  0.858±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  11
• 可旋转键数：
  6
• 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：

  1-chloro-3,7-dimethyloctane 在 盐酸 、 氢氧化钾 、 乙酸酐 、 sodium iodide 作用下， 以 乙醇 为溶剂， 反应 65.5h， 生成 2,5-bis(chloro-13C-methyl)-1-(3,7-dimethyloctyloxy)-4-methoxybenzene
  参考文献：
  名称：

  Identification and Quantification of Polymerization Defects in ¹³C-Labeled Sulfinyl and Gilch OC₁C₁₀−PPV by NMR Spectroscopy

  摘要：

  By using selectively C-13-labeled sulfinyl and Gilch polymers, only noneliminated groups were demonstrated to be present in significant amounts (ca. 6.9%) in the sulfinyl conjugated OC1C10-PPV. By means of a two-step elimination procedure, this amount could be reduced to a level less than 0.5%. In the Gilch route on the other hand, a tolane-bisbenzyl unit was confirmed to be the main structural defect. Furthermore, noneliminated groups were clearly present. For both polymerization routes no indications for other types of defects such as cross-links or branching, were detected while strong indications for carbonyl type end groups were found. The nature of all "defects" was elucidated by applying liquid 1D and 2D NMR spectroscopy and the amount was calculated based on fully quantitative C-13 NMR spectra.

  DOI：

  10.1021/ma030025t
• 作为产物：
  描述：

  8-氯-2,6-二甲基-2-辛烯 在 sodium tetrahydroborate 、 氢气 、 nickel diacetate 、 zinc(II) oxide 作用下， 以 乙醇 为溶剂， 反应 61.0h， 以95.5%的产率得到1-chloro-3,7-dimethyloctane
  参考文献：
  名称：

  METHOD FOR PRODUCING REDUCED HALIDE COMPOUND HAVING UNDERGONE REDUCTION OF CARBON-CARBON UNSATURATED BOND

  摘要：

  一种卤化物化合物，其具有一个或多个碳-碳不饱和键，经催化还原而几乎不发生去卤反应，以产生一个减少的卤化物化合物，其中至少一个或多个不饱和键被还原。具体提供了一种生产减少的卤化物化合物的方法，包括以下步骤：在溶剂中反应镍化合物、锌化合物和硼氢化物化合物以获得还原催化剂；并在还原催化剂存在的情况下，将具有一个或多个碳-碳不饱和键的卤化物化合物进行催化还原，以减少至少一个或多个碳-碳不饱和键，从而获得减少的卤化物化合物。

  公开号：

  US20190322607A1

文献信息

• 5-(Tetradecyloxy)-2-furancarboxylic acid and related hypolipidemic fatty acid-like alkyloxyarylcarboxylic acids
  作者：Roger A. Parker、Takashi Kariya、J. Martin Grisar、Vladimir Petrow

  DOI：10.1021/jm00216a009

  日期：1977.6

  5-(Tetradecyloxy)-2-furancarboxylic acid (91, RMI 14514) was found to lower blood lipids and to inhibit fatty acid synthesis with minimal effects on liver weight and liver fat content. This fatty acid-like compound represents a new class of hypolipidemic agent; it is effective in rats and monkeys. The compound resulted from discovery of hypolipidemic activity in certain beta-keto esters, postulation

  发现5-（四氢癸氧基）-2-呋喃羧酸（91，RMI 14514）可以降低血脂并抑制脂肪酸合成，对肝脏重量和肝脏脂肪含量的影响最小。这种类似脂肪酸的化合物代表了一类新的降血脂药。对大鼠和猴子有效。该化合物的产生是由于发现了某些β-酮酸酯的降血脂活性，假定和确认了相应的苯甲酸作为活性代谢物以及系统地研究了结构-活性关系。
• Polymerizable biaryls, method for the production and use thereof
  申请人：Aventis Research & Technologies GmbH & Co. KG

  公开号：US06323373B1

  公开（公告）日：2001-11-27

  A process for preparing polymerizable biaryl derivatives comprises reacting an aromatic comprising a 6-membered ring which bears ester or benzylic OH groups in the 1,4 position with a second aromatic in a palladium-catalyzed cross-coupling reaction to give a biaryl and converting the ester or benzylic OH groups into polymerizable groups in one or more steps. The biaryls obtained are suitable for preparing polymers which are used as electroluminescence materials.

  制备可聚合的联苯衍生物的方法包括将具有1,4位上酯基或苄羟基的6元环芳香化合物与第二芳香化合物在钯催化的交叉偶联反应中反应，形成联苯，并将酯基或苄羟基转化为一个或多个步骤中的可聚合基团。所得的联苯适用于制备用作电致发光材料的聚合物。
• Synthesis and double doping behavior of a poly(p-phenylenevinylene)s bearing conjugated side chains
  作者：Hirotsugu Kawashima、Kohsuke Kawabata、Hiromasa Goto

  DOI：10.1002/pola.25919

  日期：2012.4.15

  A poly(p‐phenylenevinylene) derivative bearing conjugated side chains (polyCPV) was synthesized by Migita‐Kosugi‐Stille type coupling polycondensation reaction. This polymer contains phenylenevinylene units in both the main chain and the side chains. UV–vis absorption and fluorescence emission spectroscopies revealed a well‐developed π‐conjugation of the polyCPV. The absorption band of the polymer

  通过Migita-Kosugi-Stille型偶联缩聚反应合成了带有共轭侧链（polyCPV）的聚对苯撑乙烯撑衍生物。该聚合物在主链和侧链中均包含亚苯基亚乙烯基单元。紫外可见吸收和荧光发射光谱显示polyCPV的π共轭非常发达。聚合物的吸收带延伸至长波长。聚CPV的最大荧光发射波长位于比共轭侧链单体更长的波长处。polyCPV的电子自旋共振测量证实了通过碘掺杂在主链和侧链中都产生了电荷种类。©2012 Wiley Periodicals，Inc. J Polym Sci A部分：Polym Chem，2012年
• Substituted poly(arylene vinylenes), method for producing the same, and their use in electroluminescent elements
  申请人：——

  公开号：US20020064680A1

  公开（公告）日：2002-05-30

  Poly(arylenevinylenes) comprising at least 20% of recurring units of the formula (I), 1 where the symbols and indices have the following meanings: Aryl: is an aryl group having 4 to 14 carbon atoms; R′: is a substituent which is either in the labeled phenylene position 5 or 6 and is CN, F, Cl, N(R 1 R 2 ) or a straight-chain, branched or cyclic alkyl, alkoxy or thioalkoxy group having 1 to 20 carbon atoms, in which, in addition, one or more H atoms may be replaced by F; R″: are identical or different and are CN, F, Cl or a straight-chain, branched or cyclic alkyl or alkoxy group having 1 to 20 carbon atoms, where one or more non-adjacent CH 2 groups may be replaced by —O—, —S—, —CO—, —COO—, —O—CO—, —NR 1 —, —(NR 2 R 3 ) + —A − or —CONR 4 —, and where one or more H atoms may be replaced by F, or an aryl group having 4 to 14 carbon atoms, which may be substituted by one or more non-aromatic radicals R′; R 1 , R 2 , R 3 , R 4 are identical or different and are H or an aliphatic or aromatic hydrocarbon radical having 1 to 20 carbon atoms; A − : is a singly charged anion or an equivalent thereof; and n: is 0, 1, 2, 3, 4 or 5, are suitable as electroluminescent materials.

  聚芳烃乙烯基化合物包含至少20％的重复单元，其化学式为（I），其中符号和指数具有以下含义：芳基：是具有4至14个碳原子的芳基基团；R'：是一个取代基，它位于标记的苯基位置5或6，并且是CN，F，Cl，N（R1R2）或直链，支链或环状烷基，烷氧基或硫代烷氧基基团，具有1至20个碳原子，在其中，另外一个或多个H原子可以被F取代；R″：相同或不同，并且是CN，F，Cl或直链，支链或环状烷基或烷氧基基团，具有1至20个碳原子，其中一个或多个非相邻的CH2基团可以被—O—，—S—，—CO—，—COO—，—O—CO—，—NR1—，—（NR2R3）+—A−或—CONR4—取代，其中一个或多个H原子可以被F取代，或者是具有4至14个碳原子的芳基基团，它可以被一个或多个非芳香基团R'取代；R1，R2，R3，R4相同或不同，是H或具有1至20个碳原子的脂肪族或芳香族烃基；A−：是单价阴离子或其当量；n：为0，1，2，3，4或5，适用作电致发光材料。
• Substituted poly(arylenevinylenes), process for their preparation, and their use in electroluminescent elements
  申请人：——

  公开号：US20030088050A1

  公开（公告）日：2003-05-08

  Poly(arylenevinylenes) comprising at least 20% of recurring units of the formula (I), 1 where the symbols and indices have the following meanings: Aryl: is an aryl group having 4 to 14 carbon atoms; R′: is a substituent which is either in the labeled phenylene position 5 or 6 and is CN, F, Cl, N(R 1 R 2 ) or a straight-chain, branched or cyclic alkyl, alkoxy or thioalkoxy group having 1 to 20 carbon atoms, in which, in addition, one or more H atoms may be replaced by F; R″: are identical or different and are CN, F, Cl or a straight-chain, branched or cyclic alkyl or alkoxy group having 1 to 20 carbon atoms, where one or more non-adjacent CH 2 groups may be replaced by —O—, —S—, —CO—, —COO—, —O—CO—, —NR 1 —, —(NR 2 R 3 ) + -A − or —CONR 4 —, and where one or more H atoms may be replaced by F, or an aryl group having 4 to 14 carbon atoms, which may be substituted by one or more non-aromatic radicals R′; R 1 , R 2 , R 3 , R 4 are identical or different and are H or an aliphatic or aromatic hydrocarbon radical having 1 to 20 carbon atoms; A − : is a singly charged anion or an equivalent thereof; and n: is 0, 1, 2, 3, 4 or 5. are suitable as electroluminescent materials.

  聚(芳基烯乙烯)至少包含公式(I)中的重复单位的20％，其中符号和指数具有以下含义：芳基：是具有4到14个碳原子的芳基基团；R′：是取代基，可以在标记的苯基位置5或6，并且是CN，F，Cl，N（R1R2）或具有1到20个碳原子的直链，支链或环状烷基，烷氧基或硫代烷氧基，其中，此外，一个或多个H原子可以被F取代；R″：相同或不同，是CN，F，Cl或具有1到20个碳原子的直链，支链或环状烷基或烷氧基，其中一个或多个非相邻CH2基团可以被—O—，—S—，—CO—，—COO—，—O—CO—，—NR1—，—（NR2R3）+—A−或—CONR4—取代，其中一个或多个H原子可以被F取代，或具有4到14个碳原子的芳基基团，可以被一个或多个非芳香基团R′取代；R1，R2，R3，R4相同或不同，是H或具有1到20个碳原子的脂肪族或芳香族碳氢基；A−：是单价阴离子或其等效物；n：为0，1，2，3，4或5。适用作电致发光材料。