1-氯-2-(3-氯-丙基)-苯 | 90347-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-氯-2-(3-氯-丙基)-苯
• 英文名称: 1-chloro-2-(3-chloro-propyl)-benzene
• 英文别名: 1-Chlor-2-(3-chlor-propyl)-benzol；1-Chlor-3-<2-chlor-phenyl>-propan；1-Chloro-2-(3-chloropropyl)benzene
• CAS: 90347-04-9
• 化学式: C₉H₁₀Cl₂
• mdl: MFCD06656680
• 分子量: 189.084
• InChiKey: XNCHRPAULDQGPI-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：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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-氯-2-(3-氯-丙基)-苯 在 氨 作用下， 以 乙醇 为溶剂， 生成 2,3-二氢-1H-茚-1-甲腈
  参考文献：
  名称：

  Homocyclic Ring Closures via Benzyne Intermediates. A New Synthesis of 1-Substituted Benzocyclobutenes¹

  摘要：

  DOI：

  10.1021/jo01058a019
• 作为产物：
  描述：

  3-(2-氯苯基)-1-丙醇 在 吡啶 、 氯化亚砜 作用下， 生成 1-氯-2-(3-氯-丙基)-苯
  参考文献：
  名称：

  Homocyclic Ring Closures via Benzyne Intermediates. A New Synthesis of 1-Substituted Benzocyclobutenes¹

  摘要：

  DOI：

  10.1021/jo01058a019

文献信息

• Room temperature C(sp²)–H oxidative chlorination via photoredox catalysis
  作者：Lei Zhang、Xile Hu

  DOI：10.1039/c7sc03010j

  日期：——

  catalysis has been developed to achieve oxidative C–H chlorination of aromatic compounds using NaCl as the chlorine source and Na2S2O8 as the oxidant. The reactions occur at room temperature and exhibit exclusive selectivity for C(sp2)–H bonds over C(sp3)–H bonds. The method has been used for the chlorination of a diverse set of substrates, including the expedited synthesis of key intermediates to bioactive

  已开发出光氧化还原催化以使用NaCl作为氯源和Na 2 S 2 O 8作为氧化剂实现芳族化合物的CH-H氧化氯化。该反应在室温下发生，对C（sp 2）–H键的选择性高于C（sp 3）–H键的选择性。该方法已用于多种底物的氯化，包括加速合成生物活性化合物和药物的关键中间体。
• THE ELECTROLYSIS OF <i>o</i>-HALOGENOPHENYL-SUBSTITUTED ACIDS
  作者：R. G. Woolford、W. S. Lin

  DOI：10.1139/v66-417

  日期：1966.12.1

  The synthesis and electrolysis of a series of o-chloro- and o-bromo-phenyl-substituted acids with two to five carbon chain lengths have been studied. The main products, under the experimental conditions used, were the Kolbe dimers. A complete isolation and identification of all of the important by-products is recorded. Methanol and methanol–pyridine were the solvents for electrolysis.This work represents the first study of the behavior of aromatic halogen substituents during the Kolbe electrolysis. In contrast to many reactions involving aliphatic halogen substituents, no free halogen was produced and no products were obtained, even in trace amounts, where halogen had been lost from the aromatic nucleus. During this investigation, 18 previously unreported compounds were synthesized and their properties were determined.

  已研究了一系列具有两至五个碳链长度的邻氯和邻溴苯基取代酸的合成和电解。在使用的实验条件下，主要产物是科尔贝二聚体。记录了所有重要副产物的完全分离和鉴定。甲醇和甲醇-吡啶是电解的溶剂。这项工作代表了对芳香族卤素取代基在科尔贝电解过程中行为的首次研究。与许多涉及脂肪族卤素取代基的反应相比，没有产生游离卤素，即使在从芳香族核中失去卤素的情况下，也没有获得任何产品，即使是微量。在这项研究中，合成了18种先前未报道的化合物，并确定了它们的性质。
• Method for producing an aromatic compound having an alkyl group with at least three carbon atoms
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0985649A2

  公开（公告）日：2000-03-15

  Aromatic compounds having an alkyl group with at least 3 carbon atoms are produced in a process comprising at least one of the following steps: (1) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a zeolite-containing catalyst in a liquid phase in the presence of hydrogen therein, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (2) a step of contacting a starting material that contains an aromatic compound having a branched alkyl group with at least 3 carbon atoms, with a catalyst containing zeolite and containing rhenium and/or silver, in a liquid phase, thereby changing the position of the carbon atoms of the alkyl group bonding to the aromatic ring of the compound; (3) a step of contacting a halogenated aromatic compound having an alkyl group with at least 3 carbon atoms, with an acid-type catalyst, thereby isomerizing the compound; and (4) a step of treating a mixture of isomers of an aromatic compound having an alkyl group with at least 3 carbon atoms, with a zeolite adsorbent that contains at least one exchangable cation selected from alkali metals, alkaline earth metals, lead, thallium and silver, thereby separating a specific isomer from the isomer mixture through adsorption.

  具有至少 3 个碳原子烷基的芳香族化合物的生产工艺至少包括以下一个步骤： (1) 将含有至少 3 个碳原子的支链烷基的芳香族化合物的起始原料在液相中与含沸石的催化剂在氢存在的情况下接触，从而改变烷基的碳原子与化合物的芳香环键合的位置； (2) 将含有芳香族化合物的起始原料与含沸石和含铼和/或银的催化剂在液相中接触，该芳香族化合物具有至少 3 个碳原子的支链烷基，从而改变烷基碳原子与化合物芳香环键合的位置； (3) 将具有至少 3 个碳原子的烷基的卤代芳香族化合物与酸型催化剂接触，从而使该化合物异构化；以及 (4) 用沸石吸附剂处理具有至少 3 个碳原子的烷基的芳香族化合物的异构体混合物，该沸石吸附剂含有至少一种选自碱金属、碱土金属、铅、铊和银的可交换阳离子，从而通过吸附从异构体混合物中分离出特定的异构体。
• Meisenheimer, Chemische Berichte, 1928, vol. 61, p. 720
  作者：Meisenheimer

  DOI：——

  日期：——
• EISTETTER, K.;WOLF, H. P. O., J. MED. CHEM., 1982, 25, N 2, 109-113
  作者：EISTETTER, K.、WOLF, H. P. O.

  DOI：——

  日期：——