1-辛基-2-甲基吲哚 | 42951-39-3

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-辛基-2-甲基吲哚
• 中文别名: N-辛基-2-甲基吲哚
• 英文名称: 1-n-octyl-2-methyl-indole
• 英文别名: 1-octyl-2-methyl-1H-indole；N-octyl-2-methylindole；2-methyl-1-octyl-1H-indole；1-n-octyl-2-methylindole；1-octyl-2-methyl-indole；1-octyl-2-methylindole；2-methyl-1-octylindole
• CAS: 42951-39-3
• 化学式: C₁₇H₂₅N
• 分子量: 243.392
• InChiKey: MOVCYDNEZZZSLV-UHFFFAOYSA-N

物化性质

• 沸点：
  367.3±11.0 °C(Predicted)
• 密度：
  0.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-辛基-2-甲基吲哚 、 1-dicyanomethylene-3-dimethylpropionyliminoisoindoline 在 对甲苯磺酸 作用下， 以 丙酮 、 甲苯 为溶剂， 生成 1-Dicyanomethylene-3-(2,2-dimethylpropionylamino)-3-(2-methyl-1-n-octylindol-3-yl)isoindoline
  参考文献：
  名称：

  Chromogenic methylenepyrrolines

  摘要：

  本发明涉及色发生性甲基亚吡啶和其制备的过程和中间体，以及它们的应用。根据本发明，色发生性甲基亚吡啶化合物具有公式（I），如权利要求书1所定义。这些色彩形成剂特别适用于热敏记录过程，并产生强烈的红色、紫色、蓝色或棕色着色。它们的特点是不需要任何传统的电子吸引酸性着色剂。

  公开号：

  US05387694A1
• 作为产物：
  描述：

  在 copper(l) iodide 、 K₃PO₄ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以90 mg的产率得到1-辛基-2-甲基吲哚
  参考文献：
  名称：

  Indoles Synthesized from Amines via Copper Catalysis

  摘要：

  N-Substituted indoles are synthesized from primary amines through a tandem reaction sequence. Initial condensation of the amine with an alpha-(o-haloaryl)ketone or aldehyde is followed by intramolecular aryl amination catalyzed by CuI. A variety of anilines and alkyl amines, including those with significant steric demands, are converted to indoles in high yields and with varying indole substitution.

  DOI：

  10.1021/ol400444g

文献信息

• Utilizing Mor-DalPhos/Palladium-Catalyzed Monoarylation in the Multicomponent One-Pot Synthesis of Indoles
  作者：Nicolas L. Rotta-Loria、Andrey Borzenko、Pamela G. Alsabeh、Christopher B. Lavery、Mark Stradiotto

  DOI：10.1002/adsc.201400903

  日期：2015.1.12

  in the one‐pot, multicomponent assembly of substituted indoles from ortho‐chlorohaloarenes, alkyl ketones (including acetone), and primary amines is reported. The described protocols offer improved substrate scope in all three reaction components, under more mild conditions and without the need for an additional drying agent. Also reported are the first examples of such multicomponent reactions where

  据报道，Mor-DalPhos /钯催化剂体系在邻氯卤代芳烃，烷基酮（包括丙酮）和伯胺的一锅多组分取代吲哚的组装中得到了应用。所描述的方案在更温和的条件下并且不需要其他干燥剂的情况下，可在所有三种反应组分中提供改进的底物范围。还报道了这种多组分反应的第一个例子，其中所有反应物在反应开始时就被合并，而不需要惰性气氛反应条件。
• Carbazole containing phthalides
  申请人：Sterling Drug Inc.

  公开号：US04182714A1

  公开（公告）日：1980-01-08

  3-Heteroaryl-3-(diphenylamino)phthalides useful as color formers in pressure-sensitive carbonless duplicating systems, thermal marking systems and hectographic copying systems are prepared by reacting 2-(heteroarylcarbonyl)-benzoic acids with diphenylamines.

  用于压敏无碳复写系统、热标记系统和蜡纸复印系统的3-杂环芳基-3-(二苯胺基)邻苯二甲酸酐，通过将2-(杂环芳基羰基)-苯甲酸与二苯胺反应制备。
• 3-(Pyrrolo and 3-indolyl)-3-diphenylamino substituted phthalides
  申请人：Sterling Drug Inc.

  公开号：US04431819A1

  公开（公告）日：1984-02-14

  3-Heteroaryl-3-(diphenylamino)phthalides useful as color formers in pressure-sensitive carbonless duplicating systems, thermal marking systems and hectographic copying systems are prepared by reacting 2-(heteroarylcarbonyl)benzoic acids with diphenylamines.

  3-杂环芳基-3-(二苯胺基)邻苯二甲酸酐可用作压敏无碳复写系统、热标记系统和蜡纸复印系统中的显色剂，通过将2-(杂环芳基羰基)苯甲酸与二苯胺反应制备。
• Marking systems containing 3-aryl-3-heterylphthalides and
  申请人：Sterling Drug Inc.

  公开号：US04189171A1

  公开（公告）日：1980-02-19

  3-Aryl-3-indolylphthalides, 3-aryl-3-pyrrolylphthalides and 3-aryl-3-carbazolylphthalides prepared by interaction of the appropriate 2-(heteroaryl)carbonylbenzoic acid and the appropriate phenylamine, and 3,3-bis(indolyl)phthalides prepared by the interaction of the appropriate 2-(indolyl)carbonylbenzoic acid and the appropriate indole are useful as color formers in pressure-sensitive carbonless duplicating systems, thermal marking systems and hectographic copying systems.

  通过适当的2-(杂环芳基)羧酸苯和适当的苯胺之间的相互作用制备的3-Aryl-3-indolylphthalides、3-aryl-3-pyrrolylphthalides和3-aryl-3-carbazolylphthalides，以及通过适当的2-(吲哚基)羧酸苯和适当的吲哚之间的相互作用制备的3,3-双(吲哚基)邻苯二甲酸酯，在压敏无碳复写系统、热标记系统和电写复印系统中作为显色剂有用。
• Chromogenic dihydrofuropyridinones
  申请人：Ciba-Geigy Corporation

  公开号：US04695636A1

  公开（公告）日：1987-09-22

  Chromogenic azaphthalides of the formula ##STR1## wherein R.sub.1 and R.sub.2 independently of each other are hydrogen, C.sub.1 -C.sub.12 alkyl which is unsubstituted or substituted by halogen, hydroxyl, cyano or lower alkoxy, or are cycloalkyl, benzyl or phenyl, or benzyl or phenyl which are substituted by halogen, nitro, cyano, lower alkyl, lower alkoxy or lower alkoxycarbonyl; or R.sub.1 and R.sub.2 together with the nitrogen atom to which they are attached are a 5-membered or 6-membered heterocyclic radical and in particular pyrrolidinyl; X is hydrogen, halogen, lower alkyl, lower alkoxy, benzyl, phenyl, benzyloxy, phenoxy, or benzyl or benzyloxy which are substituted by halogen, nitro, lower alkyl or lower alkoxy; Y is hydrogen, unsubstituted or substituted alkyl or benzyl or acyl and in particular C.sub.6 -C.sub.9 alkyl; Z is hydrogen, lower alkyl or phenyl; and the ring A is a pyridine radical and the benzene nucleus b is unsubstituted or substituted by halogen, nitro, cyano, lower alkyl, lower alkoxy, lower alkoxycarbonyl, amino, lower alkyl alkylamino or di-(lower alkyl)-amino as well as a novel process for the preparation of 4-azaphthalides. The azaphthalides are useful color formers for pressure-sensitive or heat-sensitive recording materials and produce, in particular, strong, lightfast blue colorations.

  化学式为##STR1## 的色原体，其中R.sub.1和R.sub.2独立地为氢，未被取代或被卤素，羟基，氰基或低烷氧基取代的C.sub.1-C.sub.12烷基，或为环烷基，苄基或苯基，或为被卤素，硝基，氰基，低烷基，低烷氧基或低烷氧羰基取代的苄基或苯基；或者R.sub.1和R.sub.2与它们所附着的氮原子一起是一个5-成员或6-成员的杂环基团，特别是吡咯烷基；X为氢，卤素，低烷基，低烷氧基，苄基，苯基，苄氧基，苯氧基，或被卤素，硝基，低烷基或低烷氧基取代的苄基或苄氧基；Y为氢，未被取代或被取代的烷基或苄基或酰基，特别是C.sub.6-C.sub.9烷基；Z为氢，低烷基或苯基；环A为吡啶基团，苯环b未被取代或被卤素，硝基，氰基，低烷基，低烷氧基，低烷氧羰基，氨基，低烷基烷基氨基或二（低烷基）氨基取代，以及一种新型的4-氮杂萘的制备方法。这些氮杂萘是压敏或热敏记录材料的有用色形成剂，产生特别是强，耐光的蓝色着色。