1-methyl-4-(octyloxy)benzene | 67698-82-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methyl-4-(octyloxy)benzene
• 英文别名: 1-methyl-4-octoxybenzene
• CAS: 67698-82-2
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: BYCXSXPCTRWKRR-UHFFFAOYSA-N

物化性质

• 沸点：
  118 °C(Press: 1 Torr)
• 密度：
  0.898±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-methyl-4-(octyloxy)benzene 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 p-n-octyloxybenzyl bromide
  参考文献：
  名称：

  Alkoxylated p-phenylenevinylene oligomers: Synthesis and spectroscopic and electrochemical properties

  摘要：

  Twenty-one n-alkoxy substituted phenylenevinylene oligomers were synthesized, varying in size, number and position of the OR groups. IR,MS and solubility data are presented. NMR measurements provided the molecular structure as well as information about conformations and molecular dynamics. UV and of cyclic voltammetric data give correlations of chemical structure (number and position of OR substituents) with separate HOMO and LUMO energies. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00871-5
• 作为产物：
  描述：

  4-辛氧基苯甲醛 在 哌啶 、 palladium 10% on activated carbon 、 sodium cyanoborohydride 、 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 20.0~65.0 ℃ 、101.33 kPa 条件下， 反应 40.5h， 生成 1-methyl-4-(octyloxy)benzene
  参考文献：
  名称：

  C（sp3）–C（sp3）σ键的简便氢解

  摘要：

  通过钯催化的C（sp 3）–C（sp 3）氢解对苄基的季碳，叔碳和仲碳中心进行修饰）呈现σ键。当在温和的氢解条件下（含钯碳和氢气的大气压）处理带有季苄基中心的苄基麦德鲁姆的酸衍生物时，就可以很好地获得高收率的芳族化合物，这些芳族化合物被叔苄基中心和麦德鲁姆酸所取代。类似地，含有叔或仲苄基中心的底物分别产生被仲苄基中心或甲苯衍生物取代的芳族化合物。此外，该策略用于二芳基甲烷的高产率合成。探索了还原性脱烷基反应的范围，并确定了对空间和电子因素的限制。描述了该反应的机理分析，该分析由氘标记实验和对映体富集的衍生物的氢解组成。调查显示，C（sp 3）–C（sp 3）σ键断裂事件是通过混合的S N 1 / S N 2机理发生的，其中钯中心置换了一个基于碳的离去基团，即Meldrum酸，其构型反转，随后通过还原消除钯来提供CH键。

  DOI：

  10.1002/adsc.201600535

文献信息

• Copper-Catalyzed Hydroxylation of Aryl Halides with Tetrabutylammonium Hydroxide: Synthesis of Substituted Phenols and Alkyl Aryl Ethers
  作者：Tharmalingam Punniyamurthy、Rajesh Paul、Md Ali

  DOI：10.1055/s-0030-1258965

  日期：2010.12

  hydroxylation of aryl iodides and aryl bromides with tetrabutylammonium hydroxide pentahydrate is described. For this, the combination of copper(I) iodide and 8-hydroxyquinaldine at 70-130 ˚C in a mixture of dimethyl sulfoxide and water (2:3) is used. The resultant phenols can be readily reacted with alkyl and allyl halides in situ to provide the corresponding alkyl or allyl aryl ethers in high yields

  描述了用四水合氢氧化四丁基铵将芳基碘化物和芳基溴化物选择性羟基化。为此，使用二甲基亚砜和水（2：3）的混合物在70-130℃下混合使用碘化亚铜（I）和8-羟基奎纳丁。所得的酚可以容易地与烷基卤和烯丙基卤原位反应，以高收率提供相应的烷基或烯丙基芳基醚。反应简单，通用和有效，在好氧条件下得到取代的苯酚和烷基芳基醚。 苯酚-碘化铜-五水合四丁基氢氧化铵-芳基卤化物-羟基化
• Synthesis of Phenol, Aromatic Ether, and Benzofuran Derivatives by Copper-Catalyzed Hydroxylation of Aryl Halides
  作者：Dongbing Zhao、Ningjie Wu、Shuai Zhang、Peihua Xi、Xiaoyu Su、Jingbo Lan、Jingsong You

  DOI：10.1002/anie.200903923

  日期：2009.11.2

  A smooth operator: The copper‐catalyzed synthesis of phenols from aryl halides was carried out under relatively mild reaction conditions. Alkyl aryl ethers and benzofurans could also be prepared smoothly by one‐pot domino protocols based on hydroxylation of aryl iodides (see scheme).

  平稳的操作员：在相对温和的反应条件下，铜从芳基卤化物中催化合成苯酚。烷基芳基醚和苯并呋喃也可通过基于芳基碘化物羟基化的一锅多米诺协议顺利制备（参见方案）。
• Antibacterial agent and therapeutic agent for Johne's disease containing the same
  申请人：Takahashi Yoshiaki

  公开号：US20090209744A1

  公开（公告）日：2009-08-20

  An antibacterial agent having high antibacterial activity against Mycobacterium avium subsp. paratuberculosis is provided. Specifically, the antibacterial agent of the present invention having high antibacterial activity against Mycobacterium avium subsp. paratuberculosis is a caprazamycin derivative represented, for example, by the following general formula (II): wherein Me is a methyl group; and R 1 is a straight or substantially straight chain alkyl group having 5 to 21 carbon atoms, a straight or substantially straight chain alkenyl group having 5 to 21 carbon atoms, a cycloalkyl group having 5 to 12 carbon atoms, or a phenyl group substituted at the para-position with a straight chain alkyl group having 1 to 14 carbon atoms, a straight chain alkoxy group having 1 to 9 carbon atoms or a cycloalkyl group having 5 to 12 carbon atoms.

  提供了一种对鲁氏分枝杆菌亚种鲁氏分枝杆菌具有高抗菌活性的抗菌剂。具体来说，本发明的抗菌剂对鲁氏分枝杆菌亚种鲁氏分枝杆菌具有高抗菌活性，例如由以下通用公式（II）表示的卡普拉霉素衍生物：其中Me是一个甲基基团；而R1是一个由5至21个碳原子组成的直链或几乎直链烷基基团，由5至21个碳原子组成的直链或几乎直链烯基基团，由5至12个碳原子组成的环烷基基团，或者在对位上用具有1至14个碳原子的直链烷基基团、具有1至9个碳原子的直链烷氧基基团或由5至12个碳原子组成的环烷基基团取代的苯基团。
• [EN] A PROCESS FOR THE PREPARATION OF TRIAZINE INTERMEDIATES AND A PROCESS FOR THE PREPARATION OF UV ABSORBERS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INTERMÉDIAIRES DE TRIAZINE ET PROCÉDÉ DE PRÉPARATION D'ABSORBEURS UV ASSOCIÉS
  申请人：BASF SE

  公开号：WO2020144093A1

  公开（公告）日：2020-07-16

  The presently claimed invention relates to a novel, highly efficient and general process for the preparation of the triazine intermediates and their use in the preparation of UV absorbers.

  目前所声称的发明涉及一种新颖、高效和通用的三嗪中间体制备过程及其在制备紫外线吸收剂中的应用。
• PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL
  申请人：FUJIFILM Corporation

  公开号：US20150248969A1

  公开（公告）日：2015-09-03

  A photoelectric conversion element, having a photoconductor layercontaining semiconductor fine particles carrying a metal complex dye of Formula (I); a metal complex dye, a dye solution, a dye-adsorbed electrode, a dye-sensitized solar cell, and a method for producing the solar cell: M ( LA )( LD )( LX ) mX ·( CI ) mY Formula (I) M represents a metal ion, LA represents a ligand of Formula (AL), LD represents a bidentate or tridentate ligand, at least one of coordinating atoms being an anion; LX represents a monodentate ligand; CI represents a counter ion; mX is 0 or 1; mY is 0 to 3; Rings A to C represent a heterocycle; Z 1 and Z 2 represent a carbon or nitrogen atom; Anc1 to Anc3 represent an acidic group; X 1 to X 3 represent a single bond or linking group; R 1 to R 3 represent a substituent; l1, l3, l2, m1, m3, m2, n1, n2, and n3 each are an integer.

  一种光电转换元件，具有包含携带公式（I）金属络合染料的半导体细粒子的光电导层；一种金属络合染料，染料溶液，染料吸附电极，染料敏化太阳能电池，以及生产太阳能电池的方法：M（LA）（LD）（LX）mX·（CI）mY公式（I）中，M代表金属离子，LA代表公式（AL）的配体，LD代表双齿或三齿配体，至少一个配位原子是阴离子；LX代表单齿配体；CI代表计数离子；mX为0或1；mY为0到3；环A到C代表杂环；Z1和Z2代表碳或氮原子；Anc1到Anc3代表酸性基团；X1到X3代表单键或连接基团；R1到R3代表取代基；l1、l3、l2、m1、m3、m2、n1、n2和n3各自为整数。