2,4,6-Trichloroheptan | 13049-21-3

• 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: 2,4,6-Trichloroheptan
• 英文别名: 2,4,6-Trichloro-n-heptan；2,4,6-trichloroheptane
• CAS: 13049-21-3
• 化学式: C₇H₁₃Cl₃
• 分子量: 203.539
• InChiKey: ZIELQSWVHXTKFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  10
• 可旋转键数：
  4
• 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：

  2,4,6-Trichloroheptan 、 苯基溴化镁 在 iron(III) chloride 四甲基乙二胺 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 2,4,6-triphenylheptane 、 isotakt.-2,4,6-Triphenyl-heptan 、 syndiotakt.-2,4,6-Triphenyl-heptan
  参考文献：
  名称：

  EP1724248

  摘要：

  公开号：

文献信息

• Cross-Coupling of Non-activated Chloroalkanes with Aryl Grignard Reagents in the Presence of Iron/<i>N</i>-Heterocyclic Carbene Catalysts
  作者：Sujit K. Ghorai、Masayoshi Jin、Takuji Hatakeyama、Masaharu Nakamura

  DOI：10.1021/ol2031729

  日期：2012.2.17

  An efficient and high-yielding cross-coupling reaction of various primary, secondary, and tertiary alkyl chlorides with aryl Grignard reagents was achieved by using catalytic amounts of N-heterocyclic carbene ligands and iron salts. This reaction is a simple and efficient arylation method having applicability to a wide range of industrially abundant chloroalkanes, including polychloroalkanes, which

  通过使用催化量的N杂环卡宾配体和铁盐，可以实现各种伯，仲和叔烷基氯与芳基格氏试剂的高效且高产率的交叉偶联反应。该反应是一种简单有效的芳基化方法，其适用于广泛的工业上丰富的氯代烷烃，包括聚氯代烷烃，在常规的交叉偶联条件下，这些化合物对底物具有挑战性。
• Process for production of aromatic compounds
  申请人：Nakamura Masaharu

  公开号：US20070123734A1

  公开（公告）日：2007-05-31

  A problem of the present invention is to provide an economical process with minimized toxicity for producing an aromatic compound having a variety of substituents such as various alkyl groups, and the problem is solved by a process for production of an aromatic compound represented by formula (1) below, which comprises reacting a compound represented by formula (2) below with an aromatic magnesium reagent represented by formula (3a) below in the presence of an iron catalyst and a diamine compound: wherein R is an optionally substituted hydrocarbon group or a C 3 -C 10 saturated or unsaturated ring group; A is an optionally substituted C 4 -C 20 aromatic group or an optionally substituted heteroaromatic group; X is a halogen atom or a sulfonic acid ester; and Y 1 is bromine, iodine, chlorine or a carbanion ligand.

  本发明的问题是提供一种经济的过程，最小化毒性，用于生产具有各种取代基（例如各种烷基）的芳香化合物，该问题通过以下公式（1）所代表的芳香化合物的生产过程得到解决，其中，在铁催化剂和二胺化合物的存在下，将以下公式（2）所代表的化合物与以下公式（3a）所代表的芳香基镁试剂反应：其中，R是可选的取代的碳氢化合物基团或C3-C10饱和或不饱和环基团；A是可选的取代的C4-C20芳香基团或可选的取代的杂环芳基团；X是卤素原子或磺酸酯；Y1是溴、碘、氯或碳阴离子配体。
• Polymers, method for their preparation and initiator system
  申请人：CESKOSLOVENSKA AKADEMIE VED

  公开号：EP0348963A2

  公开（公告）日：1990-01-03

  The invention relates to (co)polymers obtainable by polymerization of cationically polymerizable monomers in the presence of a novel initiator system consisting of an initiator component formed by an active chlorine-containing aliphatic low-molecular mass, oligomeric and/or polymeric substance and a Lewis acid, selected from boron trichloride and titanium tetrachloride either alone or in ad-mixtures with ferric chloride. The polymers contain the chemically bound initiator component corresponding to the used active chlorine-containing organic substance.

  本发明涉及阳离子可聚合单体在一种新型引发剂体系存在下进行聚合而得到的（共）聚合物，该引发剂体系由一种引发剂组分组成，该引发剂组分由一种活性含氯脂肪族低分子量、低聚物和/或聚合物物质和一种路易斯酸组成，路易斯酸可单独或与氯化铁混合从三氯化硼和四氯化钛中选出。聚合物中含有与所使用的活性含氯有机物相对应的化学结合引发剂成分。
• New Polymers and copolymers and method and initiation system for their preparation
  申请人：Ceskoslovenska akademie ved

  公开号：EP0436775A2

  公开（公告）日：1991-07-17

  The invention relates to polymers and copolymers on the basis of cationically polymerizable monomers; which may be obtained by the following method with a new initiation system: (co)polymerization of one or more cationically polymerizable monomers in the presence of an initiation system comprising (A1) a polymer, an oligomer and/or a low-molecular weight alkyl halide, comprising at least 5 carbon atoms and at least one chlorine atom bond to a secondary carbon atom, and/or (A2) a polymer, an oligomer and/or a low-molecular weight alkyl halide, comprising at least 4 carbon atoms and at least one halogenatom bond to a tertiary carbon atom, and (B) SnCl₄, eventually in admixture with FeCl₃ and/or BCl₃, at a molar ratio of the Lewis acid(s) to the monomer(s) of 10⁻⁵ to 50, at -100 to +20 °C, optionally in a polar halogenated solvent. Suitable monomers are isobutene, 1-butene, isoprene, 1,3-butadiene, 2,3-dimethyl-1,3-butadiene, styrene, α-methylstyrene, 1,3-pentadiene and chloroprene.

  本发明涉及以可阳离子聚合的单体为基础的聚合物和共聚物；这些聚合物和共聚物可通过以下方法用一种新的引发体系获得： (一种或多种可阳离子聚合的单体在一种引发体系存在下进行（共）聚合，该引发体系包括 (A1) 聚合物、低聚物和/或低分子量卤化烷基，包括至少 5 个碳原子和至少一个与仲碳原子成键的氯原子、 和/或 (A2) 聚合物、低聚物和/或低分子量卤化烷基，包含至少 4 个碳原子和至少一个与三级碳原子成键的卤原子、 和 (B) SnCl₄，最终与 FeCl₃和/或 BCl₃混合，路易斯酸与单体的摩尔比为 10-⁵ 至 50，温度为-100 至 +20℃，可选择在极性卤化溶剂中。合适的单体有异丁烯、1-丁烯、异戊二烯、1,3-丁二烯、2,3-二甲基-1,3-丁二烯、苯乙烯、α-甲基苯乙烯、1,3-戊二烯和氯丁二烯。
• PROCESS FOR PRODUCTION OF AROMATIC COMPOUNDS
  申请人：Japan Science and Technology Agency

  公开号：EP1724248A1

  公开（公告）日：2006-11-22

  A problem of the present invention is to provide an economical process with minimized toxicity for producing an aromatic compound having a variety of substituents such as various alkyl groups, and the problem is solved by a process for production of an aromatic compound represented by formula (1) below, which comprises reacting a compound represented by formula (2) below with an aromatic magnesium reagent represented by formula (3a) below in the presence of an iron catalyst and a diamine compound: wherein R is an optionally substituted hydrocarbon group or a C3 - C10 saturated or unsaturated ring group; A is an optionally substituted C4 - C20 aromatic group or an optionally substituted heteroaromatic group; X is a halogen atom or a sulfonic acid ester; and Y1 is bromine, iodine, chlorine or a carbanion ligand.

  本发明的一个问题是为生产具有各种取代基（如各种烷基）的芳香族化合物提供一种经济的、毒性最小的工艺，该问题是通过一种生产下式（1）所代表的芳香族化合物的工艺来解决的，该工艺包括在铁催化剂和二胺化合物存在下，使下式（2）所代表的化合物与下式（3a）所代表的芳香族镁试剂反应： 其中 R 是任选取代的烃基或 C3 - C10 饱和或不饱和环基；A 是任选取代的 C4 - C20 芳香族基团或任选取代的杂芳香族基团；X 是卤素原子或磺酸酯；Y1 是溴、碘、氯或碳阴离子配位体。